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Journal articles on the topic 'Symmetrically coordinated bond'

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Published: 2 June 2025
Last updated: 31 July 2025

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1

Skokan, Shayna R., Monica M. Reeson, Kayode D. Oshin, Anastasiya I. Vinokur, John A. Desper та Christopher J. Levy. "Crystal structure of {(R)-N2-[(benzo[h]quinolin-2-yl)methyl]-N2′-[(benzo[h]quinolin-2-yl)methylidene]-1,1′-binaphthyl-2,2′-diamine-κ4N,N′,N′′,N′′′}(trifluoromethanesulfonato-κO)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate". Acta Crystallographica Section E Crystallographic Communications 73, № 7 (2017): 949–53. http://dx.doi.org/10.1107/s2056989017008027.

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The zinc(II) atom in the title compound, [Zn(C48H31N4)(CF3SO3)](CF3SO3)·1.5CH2Cl2, adopts a distorted five-coordinate square-pyramidal geometry. It is coordinated by one trifluoromethanesulfonate ligand and four N atoms of theN2-[(benzo[h]quinolin-2-yl)methyl]-N2′-[(benzo[h]quinolin-2-yl)methylidene]-1,1′-binaphthyl-2,2′-diamine ligand. The complex is present as a single-strandedP-helimer monohelical structure incorporating π–π and/or σ–π interactions. One of the imine bonds present in the original ligand framework is reduced, leading to variations in bond lengths and torsion angles for each s
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2

Zaitsev, Kirill V., Sergey S. Karlov, Galina S. Zaitseva, Ali Alizade, and Yuri L. Slovokhotov. "Crystal structure of 2,2,3,3-tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane." Acta Crystallographica Section E Structure Reports Online 70, no. 12 (2014): o1273—o1274. http://dx.doi.org/10.1107/s160053681402501x.

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The molecule of the title compound, C40H42Ge4, lies with its central Ge—Ge bond on an inversion centre giving rise to a zigzag backbone of four tetrahedrally coordinated Ge atoms. The symmetrically independent Ge—Ge bonds are slightly shorter than in other organotetragermanes whereas the Ge—CPh(Ph = phenyl) and Ge—CMe(Me = methyl) distances have their usual values. In the crystal, (010) layers of Ph6Me4Ge4molecules with a parallel orientation of the Ge4backbone exist, held together by van der Waals forces only. Main bond lengths in organo-substituted oligogermanes are compared.
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3

Gavrish, Sergey P., Sergiu Shova та Yaroslaw D. Lampeka. "Crystal structure of poly[(μ6-benzene-1,3,5-tricarboxylato)tris(1-methylpyrrolidin-2-one)nitratodizinc(II)]". Acta Crystallographica Section E Crystallographic Communications 78, № 12 (2022): 1253–56. http://dx.doi.org/10.1107/s2056989022011045.

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The asymmetric unit of the title compound, [Zn2(C9H3O6)(NO3)(C5H9NO)3] n , I, consists of two different zinc(II) ions bridged by the carboxylate group of benzene-1,3,5-tricarboxylate (BTC3−). The Zn1 center is tetra-coordinated by the carboxylate O atoms of three symmetrically equivalent BTC3− anions and one nitrate O atom in a distorted tetrahedral geometry with Zn—Ocarboxylate bond lengths (average value 1.958 Å) slightly shorter than the Zn—Onitrate distance [2.013 (6) Å]. The Zn2 center is hexa-coordinated by three O atoms from the carboxylic groups of different BTC3− linkers and three O a
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4

Ourari, Ali, Chahinaz Zoubeidi, Sofiane Bouacida, Wassila Derafa та Hocine Merazig. "Crystal structure of bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ2N,O)copper(II)". Acta Crystallographica Section E Crystallographic Communications 71, № 2 (2015): m33—m34. http://dx.doi.org/10.1107/s2056989015001309.

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In the title compound, [Cu(C10H11BrNO)2], the asymmetric unit consists of one-half of the molecule, the other half being generated by an inversion centre. Hence the CuIIcation is symmetrically coordinated by two bidentate Schiff base anions in a slightly distorted square-planar environment with Cu—O and Cu—N bond lengths of 1.8786 (19) and 2.009 (2) Å, respectively. In the crystal, individual molecules are packed in alternating zigzag layers parallel to (001). Weak C—H...π interactions exist between the molecules.
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5

Schumanna, Herbert, Igor L. Fedushkin, Markus Hummert, Giovanna Scarel, Emiliano Bonera та Marco Fanciulli. "Crystal and Molecular Structure of [(η5-C5H4SiMe3)2LuCl]2: A Precursor for the Production of Lu2O3 Films". Zeitschrift für Naturforschung B 59, № 9 (2004): 1035–38. http://dx.doi.org/10.1515/znb-2004-0914.

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The single crystal X-ray diffraction study of [(η5-C5H4SiMe3)2LuCl]2, prepared from LuCl3 and Na[C5H4SiMe3], shows the compound to be a centrosymmetric dimer with two η5-bonded cyclopentadienyl rings and two symmetrically bridging chlorine atoms coordinated to each of the two metal centers. The coordination geometry around the lutetium atoms is that of a distorted pseudo tetrahedron. The Lu-C(Cp) distances lie within the narrow range of 2.571 - 2.608 Å . The Lu-Cl bond lengths are 2.639(1) and 2.653(1) Å . The crystal structure shows no significant intermolecular contacts.
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6

Hašek, Jindřich, Jan Ondráček, Pavel Karen, and Jaroslav Bauer. "The crystal and molecular structure of scandium formate." Collection of Czechoslovak Chemical Communications 55, no. 2 (1990): 426–34. http://dx.doi.org/10.1135/cccc19900426.

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The structure of Sc(HCOO)3 was refined up to R = 0.046. The substance crystallizes in the monoclinic system, space group P21/c, a = 10.340(2), b = 6.631(1), c = 9.027(2) Å, β = 98.11(2)°, Z = 4. Scandium atoms are placed in the two symmetrically non-equivalent centres of symmetry thus forming alternating layers parallel to the plane of b,c. All formate oxygens are coordinated to Sc atoms thus forming a three-dimensional net with octahedral coordination of both independent Sc atoms. C-H bonds are oriented in between the nearest oxygens of neighbouring formate groups, but only one contact is suf
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7

Perdih, Franc, Milenko Korica, Lorena Šebalj, and Tomislav Balić. "Anion Influence on Supramolecular Interactions in Exo-Coordinated Silver(I) Complexes with N2O2 Schiff Base Macrocycle." Crystals 13, no. 1 (2022): 50. http://dx.doi.org/10.3390/cryst13010050.

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Silver(I) complexes with aza-oxa macrocyclic Schiff bases L (L = 1,5-diaza-2,4:7,8:16,17-tribenzo-9,15-dioxa-cyclooctadeca-1,5-dien) were prepared by the reaction of the corresponding macrocycle with four different silver salts (AgX; X = ClO4, PF6, SbF6 and BF4). In all four compounds, silver ions are exo-coordinated by two neighboring ligand molecules in linear and T-shaped geometries. Such a coordination mode results in the formation of infinite 1D polymeric chains. Compounds AgLClO4 and AgLBF4 are isostructural, and polymeric chains display 1D zigzag topology. In AgLPF6 there are three symm
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8

Krivovichev, Sergey V., Taras L. Panikorovskii, Andrey A. Zolotarev, Vladimir N. Bocharov, Anatoly V. Kasatkin, and Radek Škoda. "Jahn-Teller Distortion and Cation Ordering: The Crystal Structure of Paratooite-(La), a Superstructure of Carbocernaite." Minerals 9, no. 6 (2019): 370. http://dx.doi.org/10.3390/min9060370.

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The crystal structure of paratooite-(La) has been solved using crystals from the type locality, Paratoo copper mine, near Yunta, Olary Province, South Australia, Australia. The mineral is orthorhombic, Pbam, a = 7.2250(3) Å, b = 12.7626(5) Å, c = 10.0559(4) Å, V = 927.25(6) Å3, and R1 = 0.063 for 1299 unique observed reflections. The crystal structure contains eight symmetrically independent cation sites. The La site, which accommodates rare earth elements (REEs), but also contains Sr and Ca, has a tenfold coordination by seven carbonate groups. The Ca, Na1, and Na2 sites are coordinated by ei
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9

Efremov, A., and V. Sharutin. "Synthesis and Structure of Tris(2-methoxyphenyl)antimony Bis(2,5-difluorobenzoate)." Bulletin of the South Ural State University series "Chemistry" 13, no. 4 (2021): 120–28. http://dx.doi.org/10.14529/chem210410.

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Tris(2-methoxyphenyl)antimony bis(2,5-difluorobenzoate) (1) has been obtained by the oxidative addition reaction between tris(2-methoxyphenyl)antimony, 2,5-difluorocarboxylic acid and tertiary butyl hydroperoxide in diethyl ether with the 72% yield. The compound has been identified by IR spectroscopy and X-ray diffraction analysis. According to the X-ray diffraction data, the crystal of compound 1 contains two types of crystallographically independent molecules a and b, the geometric parameters of which are slightly different. In molecules a and b the antimony atoms have a distorted trigonal-b
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10

Zinyakhina, Diana, Oleg Siidra, Anastasiya Zadoya, Sergey Krivovichev, and Rick Turner. "Crystal chemistry of layered Pb oxyhalides: crystal structure of Pb3[Pb20O10](GeO4)Cl10." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1120. http://dx.doi.org/10.1107/s2053273314088792.

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Pb oxyhalides are of interest due to their environmental and technological importance. They are also known as important constituents of oxidation zones of mineral deposits. Most Pb oxyhalides have layered α-PbO-derivative structures, which are related to the Aurivillius phases. The crystal structures of Pb-O related layered lead oxyhalides are based upon the O–Pb layers alternating with the X sheets of X– ions (X = Cl, Br, I). The PbO-derivative compounds may also incorporate a wide range of elements, including As, S, V, Mo, W, P, Si, etc., which results in interesting chemical and structural
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11

Gonzalez-Avalos, Gilberto, Gerardo Ayala-Jaimes, Noe Barrera Gallegos, and Aaron Padilla Garcia. "Modeling and Simulation of an Integrated Synchronous Generator Connected to an Infinite Bus through a Transmission Line in Bond Graph." Symmetry 16, no. 10 (2024): 1335. http://dx.doi.org/10.3390/sym16101335.

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Most electrical energy generation systems are based on synchronous generators; as a result, their analysis always provides interesting findings, especially if an approach different to those traditionally studied is used. Therefore, an approach involving the modeling and simulation of a synchronous generator connected to an infinite bus through a transmission line in a bond graph is proposed. The behavior of the synchronous generator is analyzed in four case studies of the transmission line: (1) a symmetrical transmission line, where the resistance and inductance of the three phases (a,b,c) are
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12

Christy, A. G., S. J. Mills, and A. R. Kampf. "A review of the structural architecture of tellurium oxycompounds." Mineralogical Magazine 80, no. 3 (2016): 415–545. http://dx.doi.org/10.1180/minmag.2016.080.093.

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AbstractRelative to its extremely low abundance in the Earth's crust, tellurium is the most mineralogically diverse chemical element, with over 160 mineral species known that contain essential Te, many of them with unique crystal structures. We review the crystal structures of 703 tellurium oxysalts for which good refinements exist, including 55 that are known to occur as minerals. The dataset is restricted to compounds where oxygen is the only ligand that is strongly bound to Te, but most of the Periodic Table is represented in the compounds that are reviewed. The dataset contains 375 structu
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13

Molano, Miguel F., Vaneza P. Lorett Velasquez, Mauricio F. Erben, et al. "Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{N-[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate." Acta Crystallographica Section E Crystallographic Communications 76, no. 2 (2020): 148–54. http://dx.doi.org/10.1107/s2056989019017213.

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The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]·H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that int
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14

Yang, Yan, Liu Ting Yan, Rong Huan Qin, and Wen Gui Duan. "Synthesis and Crystal Structure of the Lead(II) Complex with 5-Hydroxyisophthalic Acid." Advanced Materials Research 634-638 (January 2013): 451–55. http://dx.doi.org/10.4028/www.scientific.net/amr.634-638.451.

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The lead(II) Complex constructed with 5-hydroxyisophthalic acid, [Pb3(5-hipa)2]n•4H2O(1), (5-hipa = 5-hydro- xyisophthalic acid) has been synthesized by hydrothermal methods and structurally characterized by elemental analysis, IR and X-ray single crystal diffraction. In trinuclear symmetrical complex 1, Pb1 is four-coordinated, Pb2 and Pb3 are three-coordinated by 5-nitroisophthalic acid groups, respectively, which is further connected through intermolecular hydrogen bonds resulting in a three-dimensional (3D) network.
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15

Ondráček, Jan, Bohumil Kratochvíl, and Václav Haber. "The Crystal and Molecular Structure of a Zinc(II) Complex with a New Non-Symmetrical Tetradentate Schiff Base, [Zn(C15H18N3O)Br]." Collection of Czechoslovak Chemical Communications 59, no. 8 (1994): 1809–14. http://dx.doi.org/10.1135/cccc19941809.

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The structure of (1-(2-(2-aminoethylamino)ethylimino)methyl-2-napththolato-O,N,N',N")bromozinc(II), [Zn(naden)Br], containing a new Schiff base ligand, naden, was solved by Patterson and Fourier techniques and refined anisotropically to R = 0.047 for 1 426 unique observed reflections. The complex crystallizes in the space group Pbca with lattice parameters a = 14.024(1), b = 10.699(1), c = 21.635(2) Å, Z = 8. The structure of [Zn(C15H18N3O)Br] complex molecule consists of two six-membered aromatic rings and one six-membered and two five-membered chelate rings. The distorted coordinate polyhedr
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16

Wu, Xian-Ge, Jun-Xia Xiao та Liang Qin. "catena-Poly[[(nitrato-κ2O,O′)silver(I)]-μ3-4-pyridone-κ3O:O:O]". Acta Crystallographica Section E Structure Reports Online 65, № 6 (2009): m685—m686. http://dx.doi.org/10.1107/s1600536809019138.

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In the title complex, [Ag(NO3)(C5H5NO)]n, the AgIatom is coordinated by two O atoms from two different 4-pyridone ligands and two O atoms from one nitrate anion, displaying a nearly planar coordination geometry. The O atoms of two 4-pyridone ligands bridge two symmetrically related AgNO3units, forming a dimer, with an Ag...Ag separation of 3.680 (2) Å. Neighbouring dimers are linked into an infinite chain through weak Ag...O interactions [2.765 (2) Å], Ag...Ag interactions [3.1511 (4) Å] and π–π stacking interactions [centroid–centroid distance = 3.623 (4) Å]. N—H...O and C—H...O hydrogen bond
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17

Siidra, O. I., S. V. Krivovichev, R. W. Turner, and M. S. Rumsey. "Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra." Mineralogical Magazine 72, no. 3 (2008): 793–98. http://dx.doi.org/10.1180/minmag.2008.072.3.793.

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AbstractThe crystal structure of chloroxiphite, Pb3CuO2(OH)2Cl2, from Merehead Quarry (monoclinic, P21/m, a = 6.6972(8), b = 5.7538(5), c = 10.4686(14) Å,β = 97.747(10)°, V = 399.72(8) Å3) has been refined to R1 = 0.041. The structure contains three symmetrically unique Pb sites and one Cu site. The strong distortion of the Pb2+ coordination polyhedra is due to the stereoactivity of the s2 lone electron pairs on the Pb2+ cations. The Cu-site is coordinated by four OH- groups to form an almost planar Cu(OH)4 square that is complemented by two apical Cl– anions, forming an elongated [Cu(OH)4Cl2]
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18

Song, Gen Zong, and Lin Zhang. "The Tight-Binding Calculation Research of the Silicene Structure." Key Engineering Materials 727 (January 2017): 289–93. http://dx.doi.org/10.4028/www.scientific.net/kem.727.289.

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Silicene is a single atomic layer of silicon thin film structure, its structure is similar to the graphene, the hexagonal lattice structure with pleats. In recent years it has aroused widespread concern because of its unique physical properties. In this paper, use the tight-binding method (DFTB) of density functional theory calculation of the variation of silicene structure and structural changes in the bond lengths and bond angles. The results show that for small sized silicene its structure is unstable and relatively large changes. With the increase of the size of silicene, the structure ten
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19

Du, Chao-Jun, Xiao-Na Zhao та Bao-Yong Chen. "Synthesis and crystal structure of a two-dimensional CoIIcoordination polymer: poly[(μ3-3-carboxybenzoato)[μ2-5-(pyridin-4-yl)-1H,2′H-3,3′-bi[1,2,4-triazole]]cobalt(II)]". Acta Crystallographica Section E Crystallographic Communications 73, № 11 (2017): 1779–81. http://dx.doi.org/10.1107/s205698901701533x.

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In the title compound, [Co(C8H5O4)(C9H6N7)]n, the divalent CoIIatom is six-coordinated to three N atoms from two symmetrical 5-(pyridin-4-yl)-1H,2′H-3,3′-bi[1,2,4-triazole] (H2pyttz) ligands and three O atoms from three symmetrical 3-carboxybenzoate (Hbdic) ligands, leading to a distorted {CoN3O3} octahedral coordination environment. Two CoIIcations are linked by four bridging carboxylate groups to generate a dinuclear [Co2(CO2)4] unit. The dinuclear units are further connected into a chain along [010]viathe Hbdic ligands. The other infinite chain, along [100], is formed through the H2pyttz li
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20

Oliveira, Willian, Lilian Botelho, Celia Ronconi, and Carlos Pinheiro. "Ultra short H-bond in potassium monobasic 1,4-butodioxybis(4'-benzoic) acid." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C556. http://dx.doi.org/10.1107/s2053273314094431.

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Hydrogen bonds have been exhaustively investigated in order to understand their role in intermolecular interactions [1]. The importance of the hydrogen bonds follows from their particular role in the molecular association thanks to their variable strength and geometry. Indeed depending on the chemical nature of the donor/acceptor as well as on the physical parameters such as temperature and pressure, hydrogen bonds can give rise to directional and/or to hydrophilic like interactions which play a crucial role both in stabilizing static structures and in mediating dynamic biological processes. A
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21

Siidra, O. I., S. V. Krivovichev, N. V. Chukanov, et al. "The crystal structure of Pb5(As3+O3)Cl7 from the historic slags of Lavrion, Greece – a novel Pb(II) chloride arsenite." Mineralogical Magazine 75, no. 2 (2011): 337–45. http://dx.doi.org/10.1180/minmag.2011.075.2.337.

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AbstractThe crystal structure of new lead chloride arsenite, Pb5(As3+O3)Cl7 [orthorhombic, Pbcn, a = 16.894(2), b = 10.913 (1), c = 16.760(2) Å, V = 3090.1(7) Å3], from the historic slags of Lavrion, Greece, has been solved by direct methods and refined to R1 = 0.069. The structure contains five symmetrically unique Pb, one As, eight Cl and three O sites. The As atom forms three nearly equal As—O bonds which result in the formation of an AsO3 trigonal pyramid with As at the apex. The Pbl. Pb2, Pb3 and Pb4 atoms are bonded to the AsO3 groups via Pb2+—O bonds to form complex [Pb4(AsO3)] chains p
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22

Cui, Li-Jing. "catena-Poly[potassium-di-μ-aqua-μ-4-(5-tetrazolio)pyridine]". Acta Crystallographica Section E Structure Reports Online 65, № 6 (2009): m671. http://dx.doi.org/10.1107/s1600536809018649.

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The title compound, [K(C6H4N5)(H2O)2]n, was synthesized by hydrothermal reaction of KOH with 4-(5-tetrazolio)pyridine. The K atom has a distorted octahedral coordination environment and is coordinated by two axial N atoms from the organic ligand and by four water molecules in the equatorial plane. The molecules as a whole are located on crystallographic mirror planes; the K atom is also located on an inversion center. Both the water molecules and the organic ligands act as bridges to link symmetrically the adjacent K atoms into polymeric chains parallel to thecaxis. O—H...N hydrogen bonds invo
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23

Zhang, Zhan, An Guo, and Bang Li. "Internal Similarity Network for Rejoining Oracle Bone Fragment Images." Symmetry 14, no. 7 (2022): 1464. http://dx.doi.org/10.3390/sym14071464.

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Rejoining oracle bone fragments plays an import role in studying the history and culture of the Shang dynasty by its characters. However, current computer vision technology has a low accuracy in judging whether the texture of oracle bone fragment image pairs can be put back together. When rejoining fragment images, the coordinate sequence and texture features of edge pixels from original and target fragment images form a continuous symmetrical structure, so we put forward an internal similarity network (ISN) to rejoin the fragment image automatically. Firstly, an edge equidistant matching (EEM
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24

Stiefvater, Otto L. "The Triply Determined Substitution Structure of 1,3,4-Thiadiazole by DRM Microwave Spectroscopy." Zeitschrift für Naturforschung A 44, no. 1 (1989): 29–40. http://dx.doi.org/10.1515/zna-1989-0108.

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Double Resonance Modulation (DRM) microwave spectroscopy has allowed the determination of the complete substitution structure of normal, mono-deuterated and perdeuterated 1,3.4-thiadiazole (N2C2H2S). The shift of the centre of gravity between the normal and the d2-form and the swing of inertia! axes relative to the C2v symmetrical forms in the 2-d1-species have been used to revise the small coordinates of hydrogen and deuterium atoms.Bond lengths (in Å) and bond angles (in degrees), with uncertainties covering all three molecular forms, are found as follows: The results suggest that the shift
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25

Preetz, W., and K. Irmer. "Schwingungsspektren und Normalkoordinatenanalyse der Chloro-Bromo-Osmate(IV), [OsCl„Br6-n]2-, n = 0-6 / Vibrational Spectra and Normal Coordinate Analysis of Chloro-Bromo-Osmates(IV), [OsCl„Br6-n]2-, n = 0-6." Zeitschrift für Naturforschung B 45, no. 3 (1990): 283–89. http://dx.doi.org/10.1515/znb-1990-0303.

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The IR- and Raman spectra of the ten chloro-bromo-osmates(IV) [OsCl„Br6-n]2-, n = 0-6, including the geometrical isomers for n = 2, 3, 4 have been recorded at low temperature (80 K). The vibrational spectra of these complexes are completely assigned according to point groups Oh, D4h, C4v, C3v and C2v, supported by normal coordinate analyses based on a general valence force field. Due to the stronger trans-influence of Br as compared to Cl, in all asymmetric Cl—Os—Br axes the Os—Br bonds are strengthened and the Os—Cl bonds are weakened, indicated by valence force constants for Os— Br approxima
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26

Agmon, Ilana, Anat Bashan, Raz Zarivach, and Ada Yonath. "Symmetry at the active site of the ribosome: structural and functional implications." Biological Chemistry 386, no. 9 (2005): 833–44. http://dx.doi.org/10.1515/bc.2005.098.

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Abstract The sizable symmetrical region, comprising 180 ribosomal RNA nucleotides, which has been identified in and around the peptidyl transferase center (PTC) in crystal structures of eubacterial and archaeal large ribosomal subunits, indicates its universality, confirms that the ribosome is a ribozyme and evokes the suggestion that the PTC evolved by gene fusion. The symmetrical region can act as a center that coordinates amino acid polymerization by transferring intra-ribosomal signals between remote functional locations, as it connects, directly or through its extensions, the PTC, the thr
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27

Tan, Yee Seng, та Edward R. T. Tiekink. "Crystal structure of (4,4′-bipyridyl-κN)bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ2S,S′]zinc(II)–4,4′-bipyridyl (2/1) and its isostructural cadmium(II) analogue". Acta Crystallographica Section E Crystallographic Communications 73, № 11 (2017): 1642–46. http://dx.doi.org/10.1107/s2056989017014396.

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The title structures, [M(C6H12NOS2)2(C10H8N2)]·0.5C10H8N2, forM= Zn, (I), and Cd, (II), feature terminally bound 4,4′-bipyridyl ligands and non-coordinating 4,4′-bipyridyl molecules, with the latter disposed about a centre of inversion. The coordination geometry about the metal atom is defined by two non-symmetrically chelating dithiocarbamate ligands and a pyridyl N atom. The NS4donor sets are distorted but, approximate to trigonal bipyramidal in each case. In the crystal, hydroxy-O—H...O(hydroxy) and hydroxy-O—H...N(pyridyl) hydrogen bonds between the zinc-containing molecules lead to a supr
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28

Strasdeit, Henry, and Siegfried Pohl. "Achtfachkoordination von Cadmium(II) und sekundäre Metall—Ligand-Bindungen in [Cd(NO3)2(C12H22N6)] und [Cd(C12H22N6)2(BF4)2 / Eight-Coordination of Cadmium(II) and Secondary Metal —Ligand Bonds in [Cd(NO3) 2(C12H22N6)] and [Cd(C12H22N6) 2(BF4)2." Zeitschrift für Naturforschung B 43, no. 12 (1988): 1579–88. http://dx.doi.org/10.1515/znb-1988-1210.

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Abstract [Cd(NO3)2(C12H22N6)] (1), [Cd(C12H22N6)2](BF4)2 (2), and [Cd(C12H22N6)2](ClO4)2 (3) are obtained from methanolic solutions by reaction of 2,5,8,10,13,16-Hexaazapentacyclo[ 8.6.1.125.0918.0l3,7]octadecane (C12H22N6) with Cd(NO3)2-4H2O, Cd(BF4)2, and Cd(ClO4)2 · 6H2O, respectively. 1 crystallizes in the monoclinic space group C2/c with a = 10.346(1), b =18.162(1), c - 10.462(1) Å, β = 112.95(1)°, and Z = 4. 2 is monoclinic, space group P21/n, a = 16.958(1), b = 10.653(1), c = 18.747(1) Å, β= 112,66(1)°, and Z = 4. The X-ray structures of 1 and 2 were refined to R(Rw) = 0.028 (0.029) and
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29

Geue, RJ, AM Sargeson, and R. Wijesekera. "Metal Ion Promoted Hydrolysis of Polyphosphates." Australian Journal of Chemistry 46, no. 7 (1993): 1021. http://dx.doi.org/10.1071/ch9931021.

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Various CoIII amine aqua hydroxo complexes have been evaluated for their ability to hydrolyse pyrophosphate to phosphate rapidly. Two very effective reagents have emerged, [Co( trpn )(OH)(OH2)]2+ ( trpn = 3,3′,3″-nitrilotris(propan-1-amine)) and [Co( tamen )(OH)-OH2)]2+ ( tamen = 6-(4-amino-2-azabutyl)-6-methyl-1,4-diazacycloheptane), and the latter has been examined closely to assess details of the mechanistic path for hydrolysis. The study shows substitution of the reagent on the substrate is fast and not rate determining. Two moles of the reagent are required to bind to [(en)2Co(P2O7)]- (en
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30

Kopka, Klaus, and Rainer Mattes. "Derivate des Hydrazins als Liganden in Vanadium(IV)- und -(V)-Komplexen. Darstellung und Struktur dreier dimerer Verbindungen mit Hydrazido- und Hydrazonato-Liganden / D erivatives of H ydrazine as Ligands in V anadium (IV ) and -(V) Complexes. Synthesis and Crystal Structures of Three D im eric C om plexes with H ydrazido and H ydrazonato Ligands." Zeitschrift für Naturforschung B 50, no. 9 (1995): 1281–86. http://dx.doi.org/10.1515/znb-1995-0901.

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AbstractThe complexes [(μ-PhCONNCOPh){VOCl(NHNHCOPh)}2 ·5CH3CN, (1), [(μ-PhCONNCOPh){V(dbh)}2]-2CH3CN, (2) and [{VO}2(tbh)], (3) have been prepared by reaction of VCl2(acac)2, acac = acetylaceto n a to (l-), and VCl2(acpn), acpn = propylendiim ino-bis(acetylacetonato(2-)), with benzoylhydrazine. The structures of the centrosymmetric dimeric molecules 1 -3 have been determined by single crystal X-ray diffraction. 1 and 2 contain both doubly deprotonated N,N′-dibenzoylhydrazine as bridging, doubly N,O chelating ligand. In 1 the two remaining coordination sites at the VOCl group are occupied by t
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31

Irmer, K., та W. Preetz. "Normalkoordinatenanalyse an Oktaederkomplexen des Typs [MXnY6-n]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1 -3 / Normal Coordinate Analysis on Octahedral Complexes of the Type [ΜΧnΥ6-n]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1-3". Zeitschrift für Naturforschung B 46, № 9 (1991): 1200–1206. http://dx.doi.org/10.1515/znb-1991-0911.

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Normal coordinate analyses for all compounds of the series [MXnY6-1]z-, M = Ru, Rh, Os, Ir, Pt; Χ ≠ Y = F, Cl, Br; n = 0-6; z = 1-3, including the geometric isomers for n = 2, 3, 4 have been performed, based on a general valence force field. For the isostructural species of the point symmetries Oh (n = 0, 6), D4h (2,4, trans), C4v (1, 5), C3v (3, fac), C2v (2,4, cis; 3, mer) sequences of decreasing frequencies are established. Due to the different trans influences X < Y (F < Cl < Br) in asymmetric axes X′–M–Y′, the M–Y′ bonds are strengthened and the M – X′ bonds are weake
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32

Linden, Anthony, and Tushar S. Basu Baul. "Structural diversity among some dialkyltin(IV) benzoate and related derivatives." Acta Crystallographica Section C Structural Chemistry 77, no. 5 (2021): 209–20. http://dx.doi.org/10.1107/s2053229621003545.

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The molecular structures of five diorganotin(IV) carboxylates, (I)–(V), can be categorized into two main well-known structural types for such Sn complexes. One is the mononuclear dialkytin(IV) carboxylates with an [R2Sn(LH)2]-type skew-trapezoidal bipyramid, where the alkyl ligands are in pseudo-axial positions and the O atoms from two asymmetrically coordinated bidentate carboxylate ligands are in the equatorial plane. This structure type is adopted by dibutylbis{(E)-2-hydroxy-5-[(3-methylphenyl)diazenyl]benzoato}tin(IV) cyclohexane hemisolvate, [Sn(C4H9)2(C14H11N2O3)2]·0.5C6H12, (I), dibenzy
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33

Diemer, Rolf, Uwe Dittes, Bernhard Nuber, Volker Seifried, Wolfgang Opferkuch, and Bernhard K. Keppler. "Synthesis, Characterization and Molecular Structures of some Bismuth(III) Complexes with Thiosemicarbazones and Dithiocarbazonic Acid Methylester Derivatives with Activity against Helicobacter Pylori." Metal-Based Drugs 2, no. 5 (1995): 271–92. http://dx.doi.org/10.1155/mbd.1995.271.

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The reactions of bismuth(III) nitrate pentahydrate and bismuth(III) chloride with heterocyclic thiosemicarbazones and derivatives of dithiocarbazonic acid methylester were used to synthesize the respective bismuth(III) complexes, which could be divided into five groups D-H because of their stoichiometrical properties and their molecular structures. The molecular structure and the near coordination sphere of the bismuth(III) central atom of four representative compounds were determined by single-crystal X-ray studies. Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-diene-1-thiolato-N′,N3,S]bism
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34

Kampf, A. R., J. Marty, B. P. Nash, J. Plášil, A. V. Kasatkin, and R. Škoda. "Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4." Mineralogical Magazine 76, no. 7 (2012): 2803–17. http://dx.doi.org/10.1180/minmag.2012.076.7.12.

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AbstractCalciodelrioite, ideally Ca(VO3)2(H2O)4, is a new mineral (IMA 2012-031) from the uraniumvanadium deposits of the eastern Colorado Plateau in the USA. The type locality is the West Sunday mine, Slick Rock district, San Miguel County, Colorado. The new mineral occurs on fracture surfaces in corvusite- and montroseite-impregnated sandstone and forms as a result of the oxidative alteration of these phases. At the West Sunday mine, calciodelrioite is associated with celestine, gypsum, huemulite, metarossite, pascoite and rossite. The mineral occurs as transparent colourless needles, bundle
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35

Gizatullin, Amir, Jonathan Becker, Daut Islamov, et al. "Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters." Acta Crystallographica Section E Crystallographic Communications 77, no. 4 (2021): 324–30. http://dx.doi.org/10.1107/s2056989021002012.

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The title hydrated copper(I)–L-cysteine–chloride complex has a polymeric structure of composition {[Cu16(CysH2)6Cl16]·xH2O} n [CysH2 = HO2CCH(NH3 +)CH2S− or C3H7NO2S], namely, poly[[tetra-μ3-chlorido-deca-μ2-chlorido-dichloridohexakis(μ4-L-cysteinato)hexadecacopper] polyhydrate]. The copper atoms are linked by thiolate groups to form Cu12S6 nanoclusters that take the form of a tetrakis cuboctahedron, made up of a Cu12 cubo-octahedral subunit that is augmented by six sulfur atoms that are located symmetrically atop of each of the Cu4 square units of the Cu12 cubo-octahedron. The six S atoms thu
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36

Vien, Malvin, Daniel Basilio, Lilia Leisle, and Alessio Accardi. "Probing the conformation of a conserved glutamic acid within the Cl− pathway of a CLC H+/Cl− exchanger." Journal of General Physiology 149, no. 4 (2017): 523–29. http://dx.doi.org/10.1085/jgp.201611682.

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The CLC proteins form a broad family of anion-selective transport proteins that includes both channels and exchangers. Despite extensive structural, functional, and computational studies, the transport mechanism of the CLC exchangers remains poorly understood. Several transport models have been proposed but have failed to capture all the key features of these transporters. Multiple CLC crystal structures have suggested that a conserved glutamic acid, Gluex, can adopt three conformations and that the interconversion of its side chain between these states underlies H+/Cl− exchange. One of these
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37

Cossé-Barbi, A., and J. E. Dubois. "Bond angle distortion of C3CZCC3 fragments (Z = C, N, P, S, O, Si) by CZC opening and symmetrical C3C- distortion. Analysis of crystallographic data by perturbation of symmetry distortion coordinates." Tetrahedron Letters 28, no. 11 (1987): 1169–72. http://dx.doi.org/10.1016/s0040-4039(00)95317-6.

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38

Veith, M., P. Hobein, and R. Rösler. "Cyclische Diazastannylene, XXX [1] Symmetrisch und asymmetrisch substituierte German- und Stannandiyle mit Amid-, Alkoholat- und Thiolat-Liganden, Teil I [2] / Cyclic Diazastannylenes, XXX [1] Symmetrically and Asymmetrically Substituted Germane- and Stannanediyls with Amide, Alcoholate and Thiolate Ligands, Part I [2]." Zeitschrift für Naturforschung B 44, no. 9 (1989): 1067–81. http://dx.doi.org/10.1515/znb-1989-0914.

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Chelates of Ge(II) and Sn(II)Symmetrically and unsymmetrically substituted germane- and stannanediyls as well as chelated bis(amino)- or aminooxogermanium- and -tinmonohalides have been obtained from cyclic bis(amino)germane- and stannanediyls by treatment with tert-butylamine, tert-butanol and tert-butylmercaptane. The following compounds have been synthesized: GeX2 (X = OtBu (5), StBu (6)), Sn(StBu), (9), GeXCl (X = N(H)tBu (21), OtBu (22)), SnXCl (X = N(H)tBu (23), OtBu (24), StBu (25), OMe (28)) and Sn(OtBu)Br (27). In the series of the chelates Me2Si(NtBu)(NHtBu)GeCl (13), Me2Si(NtBu)(OtB
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39

Ting, Stephen, Nicole Lee, Ming Li, et al. "Perturbation Of Gpsm2/Lgn Enhances Haematopoietic Stem Cell Function." Blood 122, no. 21 (2013): 1176. http://dx.doi.org/10.1182/blood.v122.21.1176.1176.

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Abstract A gain of function screen of candidate cell polarity genes identified the gene, Gpsm2 (G protein signaling modulator 2) also known as LGN or Pins, as an enhancer of haematopoietic stem cell (HSC) function. Mammalian Gpsm2 comprises an N-terminal domain composed of ten Leucine–Glycine–Asparagine (LGN) repeats within seven to eight tetratricopeptide motifs, which functions to bind NuMA (Nuclear Mitotic Apparatus) and a C-terminal domain containing four GoLoco repeats that modulates guanine nucleotide exchange via Gai interaction. In effect, Gpsm2 is an integral component that coordinate
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40

Polyzou, Christina D., Helen Nikolaou, Catherine P. Raptopoulou, et al. "Dinuclear Lanthanide(III) Complexes from the Use of Methyl 2-Pyridyl Ketoxime: Synthetic, Structural, and Physical Studies." Molecules 26, no. 6 (2021): 1622. http://dx.doi.org/10.3390/molecules26061622.

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The first use of methyl 2-pyridyl ketoxime (mepaoH) in homometallic lanthanide(III) [Ln(III)] chemistry is described. The 1:2 reactions of Ln(NO3)3·nH2O (Ln = Nd, Eu, Gd, Tb, Dy; n = 5, 6) and mepaoH in MeCN have provided access to complexes [Ln2(O2CMe)4(NO3)2(mepaoH)2] (Ln = Nd, 1; Ln = Eu, 2; Ln = Gd, 3; Ln = Tb, 4; Ln = Dy, 5); the acetato ligands derive from the LnIII—mediated hydrolysis of MeCN. The 1:1 and 1:2 reactions between Dy(O2CMe)3·4H2O and mepaoH in MeOH/MeCN led to the all-acetato complex [Dy2(O2CMe)6(mepaoH)2] (6). Treatment of 6 with one equivalent of HNO3 gave 5. The structur
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41

Roberts, A. C., P. C. Burns, R. A. Gault, A. J. Criddle, and M. N. Feinglos. "Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure." Mineralogical Magazine 68, no. 2 (2004): 231–40. http://dx.doi.org/10.1180/0026461046820183.

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AbstractPetewilliamsite, ideally (Ni,Co)30(As2O7)15, monoclinic, space group C2, a = 33.256(5), b = 8.482(1), c = 14.191(2) Å, ß = 104.145(3)°, V = 3881.6(11) Å3, a:b:c = 3.9209:1:1.6731, Z = 2, is a new mineral found on a single nickeline-veined quartz specimen from Johanngeorgenstadt, Saxony, Germany. The mineral possesses a pronounced subcell-supercell: a (subcell) = 1/5 a (supercell); b (subcell) = b (supercell); c (subcell) = 1/3 c (supercell), and the strongest six lines of the X-ray powder-diffraction pattern are [d in Å (I) (hkl)]: 4.235(30)(020) ; 3.118(100)(513, 023); 3.005(60); 2.56
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42

Shevchuk, V. A., V. G. Kudin, L. O. Romanova, and V. S. Sudavtsova. "THERMODYNAMIC PROPERTIES OF MELTS OF THE Eu-Ge AND Al-Eu-Ge SYSTEMS." Odesa National University Herald. Chemistry 28, no. 3(86) (2023): 81–94. http://dx.doi.org/10.18524/2304-0947.2023.3(86).297828.

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The thermochemical properties of the melts of the Eu–Ge and Al–Eu–Ge systems at 1200–1400 K were determined for the first time by the method of calorimetry. It was established that the minimum value of the enthalpy of mixing of the melts of the Eu–Ge system is -49.1±4.4 for an alloy with xGe = 0.45, ΔH̅∞Eu = -145.7 ± 22.3; ΔH̅∞Ge = −166.8 ± 19.8 kJ/mole at T = 1400 K. The curve of enthalpy of mixing of the studied melts is almost symmetrical, which correlates with the behavior of alloys of this and similar systems in the solid state. The obtained data make it possible to consider the entire sp
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43

McGinn, James. "Hydrogen Bonding As The Mechanism That Neutralizes H2O Polarity: A Unique Perspective On The Transition Between The Liquid And Solid States Of Water." December 27, 2015. https://doi.org/10.5281/zenodo.37224.

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This paper introduces a theoretical breakthrough: H2O molecules collectively neutralize their own polarity through hydrogen bonding. Dual (symmetric) bonds fully neutralize polarity, allowing for the low viscosity (high fluidity) of liquid water. Singular (asymmetric) bonds neutralize only one half.  Thus, situational factors that remove or inhibit the attachment of one of the duo of weak bonds associated with symmetrically coordinated hydrogen bonds effectively activates the polarity that underlies the structural rigidity and electromagnetic forces evident in ice and surface tension.
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44

Li, Zhimin, Yan Yan, Minjie Liu, et al. "Robust ring-opening reaction via asymmetrically coordinated Fe single atoms scaffolded by spoke-like mesoporous carbon nanospheres." Proceedings of the National Academy of Sciences 120, no. 14 (2023). http://dx.doi.org/10.1073/pnas.2218261120.

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The ability to construct metal single-atom catalysts (SACs) asymmetrically coordinated with organic heteroatoms represents an important endeavor toward developing high-performance catalysts over symmetrically coordinated counterparts. Moreover, it is of key importance in creating supporting matrix with porous architecture for situating SACs as it greatly impacts the mass diffusion and transport of electrolyte. Herein, we report the crafting of Fe single atoms with asymmetrically coordinated nitrogen (N) and phosphorus (P) atoms scaffolded by rationally designed mesoporous carbon nanospheres (M
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45

Liang, Zuozhong, Guojun Zhou, Huang Tan, et al. "Constructing Co4(SO4)4 Clusters within Metal–Organic Frameworks for Efficient Oxygen Electrocatalysis." Advanced Materials, August 3, 2024. http://dx.doi.org/10.1002/adma.202408094.

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AbstractMultinuclear metal clusters are ideal candidates to catalyze small molecule activation reactions involving the transfer of multiple electrons. However, synthesizing active metal clusters is a big challenge. Herein, on constructing an unparalleled Co4(SO4)4 cluster within porphyrin‐based metal–organic frameworks (MOFs) and the electrocatalytic features of such Co4(SO4)4 clusters for the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is reported. The reaction of CoII sulfate and metal complexes of tetrakis(4‐pyridyl)porphyrin under solvothermal conditions afforded Co
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46

Kavková, M., M. Šulcová, J. Dumková, et al. "Coordinated labio-lingual asymmetries in dental and bone development create a symmetrical acrodont dentition." Scientific Reports 10, no. 1 (2020). http://dx.doi.org/10.1038/s41598-020-78939-2.

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AbstractOrgans throughout the body develop both asymmetrically and symmetrically. Here, we assess how symmetrical teeth in reptiles can be created from asymmetrical tooth germs. Teeth of lepidosaurian reptiles are mostly anchored to the jaw bones by pleurodont ankylosis, where the tooth is held in place on the labial side only. Pleurodont teeth are characterized by significantly asymmetrical development of the labial and lingual sides of the cervical loop, which later leads to uneven deposition of hard tissue. On the other hand, acrodont teeth found in lizards of the Acrodonta clade (i.e. agam
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47

An, Qizheng, Xu Zhang, Chenyu Yang, et al. "Engineering Unsymmetrically Coordinated Fe Sites via Heteroatom Pairs Synergetic Contribution for Efficient Oxygen Reduction." Small, August 11, 2023. http://dx.doi.org/10.1002/smll.202304303.

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AbstractSingle‐atom Fe catalysts are considered as the promising catalysts for oxygen reduction reaction (ORR). However, the high electronegativity of the symmetrical coordination N atoms around Fe site generally results in too strong adsorption of *OOH intermediates on the active site, severely limiting the catalytic performance. Herein, a “heteroatom pair synergetic modulation” strategy is proposed to tailor the coordination environment and spin state of Fe sites, enabling breaking the shackles of unsuitable adsorption of intermediate products on the active centers toward a more efficient OR
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48

Pradeep, Kishore, and Bidyut Pal. "Finite element analysis of an intact lumbar spine model: Effects of loading under different coordinate systems." Proceedings of the Institution of Mechanical Engineers, Part H: Journal of Engineering in Medicine, June 2, 2023, 095441192311773. http://dx.doi.org/10.1177/09544119231177346.

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Finite element (FE) analysis has been used in studying the biomechanics of the lumbar spine. While some FE studies used a follower load technique that intended to replace the compressing effect of local muscle force, other studies considered satisfying the relationship between the human body’s posture and the centre of gravity (CG) for investigating spine biomechanics. However, the above studies did not reveal the importance of a coordinate system that gratifies the posture-CG relation and follower load techniques. The present FE study compares the variation in ranges of motion (ROM) and stres
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49

Bao, Tingwei, Di Yu, Jiaqi Zheng, Wenyuan Zhu, Dong Wei, and Huiming Wang. "A three-dimensional quantitative assessment on bony growth and symmetrical recovery of mandible after decompression for unicystic ameloblastoma." Scientific Reports 14, no. 1 (2024). http://dx.doi.org/10.1038/s41598-024-66411-4.

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AbstractUnicystic ameloblastoma (UAM) of the jaw can be effectively reduced in volume through decompression, which promotes bone regeneration and restores jaw symmetry. This study quantitatively evaluated changes in mandible volume and symmetry following decompression of mandibular UAM. This study included 17 patients who underwent surgical decompression followed by second-stage curettage for mandibular UAM. Preoperative and postoperative three-dimensional computed tomography (CT) images were collected. Bone volume and the area of cortical perforation were measured to assess bone growth during
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50

Wang, Dongmei, Xiaojiao Yang, and Ran Fang. "DFT Study on Mechanism and Regioselectivity in Pd(II)‐Catalyzed Dehydrogenative Heck Olefination of Selenophenes." ChemistrySelect 10, no. 4 (2025). https://doi.org/10.1002/slct.202402936.

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AbstractThe present study deals with the theoretical investigation of mechanistic and regiochemical aspects of the Pd(II)‐catalyzed dehydrogenative Heck olefination of selenophenes. The detailed reaction mechanism was established, and the roles of the catalyst and regioselectivity were well rationalized. Our results clearly showed that the whole reaction involves a concerted metalation‐deprotonation (CMD) process between the C2 site of selenophene and Pd(OAc)2 in the first catalytic cycle. Afterward, the olefin coordinates to the palladium, followed by a regioselective 1,2‐migratory insertion
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