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Journal articles on the topic 'Novel Crystal Structure'

Author: Grafiati

Published: 7 September 2023

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1

Tanaka, Koichi, Naoki Daikawa, and Shigeru Ohba. "Novel Bisurea Host Compounds." Journal of Chemical Research 2002, no. 11 (2002): 579–81. http://dx.doi.org/10.3184/030823402103170853.

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New host molecules, 4,4′-bis(dimethylamino-urea)diphenylmethane (1) and its derivatives (2 and 3), are reported. These hosts are shown to give inclusion complex crystals with a wide variety of organic guest molecules with high selectivity. The crystal structure of 1:2 inclusion complex of 1 with THF has been determined from X-ray crystal structure analysis. The cyclic N–H...O intermolecular hydrogen bonds between host molecules were found to form columns for accommodation of the guest molecules.

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2

Postnikov, Valery A., Nataliya I. Sorokina, Artem A. Kulishov та ін. "Highly luminescent crystals of a novel linear π-conjugated thiophene–phenylene co-oligomer with a benzothiadiazole fragment". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, № 6 (2019): 1076–85. http://dx.doi.org/10.1107/s2052520619012484.

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The synthesis, growth from solutions and structure of crystals of a new linear thiophene–phenylene co-oligomer with a central benzothiadiazole fragment with a conjugated core, (TMS-2T-Ph)2-BTD, are presented. Single-crystal samples in the form of needles with a length of up to 7 mm were grown and their crystal structure was determined at 85 K and 293 K using single-crystal X-ray diffraction. The conformational differences between the crystal structures are insignificant. The parameters of melting and liquid crystalline phase transitions of (TMS-2T-Ph)2-BTD were established using differential s

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3

Bolla, Geetha, and Ashwini Nangia. "Novel pharmaceutical salts of albendazole." CrystEngComm 20, no. 41 (2018): 6394–405. http://dx.doi.org/10.1039/c8ce01311j.

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Novel pharmaceutical salts of albendazole drugs are crystallized with sulfonic acids and carboxylic acids. The disorder of the thiopropyl chain in the parent crystal structure is resolved in the salt crystal structures.

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4

Chong, Kenneth CW, Brian O. Patrick, and John R. Scheffer. "The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement." Canadian Journal of Chemistry 82, no. 2 (2004): 301–5. http://dx.doi.org/10.1139/v03-207.

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When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction the enolene rearrangement to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17%, 25%, 66%, and 100% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.Key words: single crystal,

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5

Prasad, J. Shashidhara, M. A. Sridhar, and V. Surendranath. "Crystal structure of a novel dimesogen." Liquid Crystals 26, no. 11 (1999): 1707–12. http://dx.doi.org/10.1080/02678292.1999.11509454.

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6

Shashidhara Prasad, M. A. Sridhar,, J. "Crystal structure of a novel dimesogen." Liquid Crystals 26, no. 11 (1999): 1707–12. http://dx.doi.org/10.1080/026782999203715.

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7

Radaelli, Paolo G., and James D. Jorgensen. "Neutron Diffraction from Novel Materials." MRS Bulletin 24, no. 12 (1999): 24–28. http://dx.doi.org/10.1557/s0883769400053689.

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The discovery and development of new materials is the foundation of the science and technology “food chains.” Examples of new materials with novel properties that have stimulated new scientific questions and/or led to new technologies include liquid crystals, advanced batteries, structural ceramics, dielectrics, ferroelectrics, catalysts, high-temperature superconductors, har dmagnets, and magnetoresistive devices. Establishing the crystal structure of a newly discovered Compound is a mandatory first step, but the most important contribution of diffraction techniques is to provide an understan

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8

Shlyk, Larysa, and Rainer Niewa. "Crystal Structure and Magnetic Properties of the Novel Hollandite Ba1.3Co1.3Ti6.7O16." Zeitschrift für Naturforschung B 66, no. 11 (2011): 1097–100. http://dx.doi.org/10.1515/znb-2011-1103.

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Single crystals of the new barium hollandite Ba1.3Co1.3Ti6.7O16 were obtained from a BaCl2 flux (I2/m, Z = 1, a = 9.9470(4), b = 2.9714(2), c = 10.2260(5) Å , β = 90.906(2)◦). In the crystal structure piles of Ba atoms are situated within a framework of edge- and vertex-sharing octahedra (Co,Ti)O6. The composition was deduced from microprobe analyses, structure refinements and charge balance arguments in agreement with the observed magnetic properties. The temperature dependence of the magnetic susceptibility χ(T) of Ba1.3Co1.3Ti6.7O16 single crystals reveals paramagnetism down to 2 K. The val

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9

Carmely, S., T. Gebreyesus, Y. Kashman, BW Skelton, AH White, and T. Yosief. "Dysidamide, a Novel Metabolite From a Red Sea Sponge Dysidea herbacea." Australian Journal of Chemistry 43, no. 11 (1990): 1881. http://dx.doi.org/10.1071/ch9901881.

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A hexachloro metabolite, dysidamide (2) has been isolated from a Red Sea sponge Dysidea herbacea. The structure of (2) has been established from spectroscopic and chemical evidence, and confirmed by an X-ray crystal structure determination. Crystals of (2) are orthorhombic P212121, a 20.509(13), b 18.411(11), c 11.356(9)Ǻ, Z 8. The structure was refined by least-squares methods to a residual of 0.049 for 2277 'observed' reflections. Two different conformations of the molecule are present in the crystal.

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10

Alarfaj, Abeer Abdulaziz, and Hanan Ahmed Hosni Mahmoud. "Feature Fusion Deep Learning Model for Defects Prediction in Crystal Structures." Crystals 12, no. 9 (2022): 1324. http://dx.doi.org/10.3390/cryst12091324.

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Detection of defective crystal structures can help in refute such defective structures to decrease industrial defects. In our research, we are concerned with Silicon nitride crystals. There are four types of crystal structure classes, namely no-defect structures, pristine crystal structures, defective random displacement crystal structures, and defective 25% vacancies crystal structures. This paper proposes a deep learning model to detect the four types of crystal structures with high accuracy and precision. The proposed model consists of both classification and regression models with a new lo

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11

Vasilyeva, A. A., T. Yu Glazunova, D. S. Tereshchenko та E. Kh Lermontova. "A novel сalcium trifluoroacetate structure". Fine Chemical Technologies 16, № 4 (2021): 352–62. http://dx.doi.org/10.32362/2410-6593-2021-16-4-352-362.

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Objectives. The study was devoted to considering the features of the synthesis and crystal structure of calcium trifluoroacetate Ca2(CF3COO)4·8CF3COOH and investigating the products of its thermal behavior.Methods. The compositions of the proposed structural form were characterized by various physicochemical methods (X-ray diffraction, IR spectroscopy), and the products of thermal decomposition were determined under dynamic vacuum conditions.Results. The reaction between calcium carbonate and 99% trifluoroacetic acid yielded a new structural type of calcium trifluoroacetate Ca2(CF3COO)4·8CF3CO

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12

Zhang, Fajun, Georg Zocher, Andrea Sauter, Thilo Stehle, and Frank Schreiber. "Novel approach to controlled protein crystallization through ligandation of yttrium cations." Journal of Applied Crystallography 44, no. 4 (2011): 755–62. http://dx.doi.org/10.1107/s0021889811017997.

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Crystal structure determination of macromolecules is often hampered by the lack of crystals suitable for diffraction experiments. This article describes a protocol to crystallize the acidic protein bovine β-lactoglobulin in the presence of yttrium to yield high-quality crystals that belong to a new space group. The yttrium ions not only are used to engineer the crystallization, but are an integral part of the crystal lattice and can therefore be used to solve the phase problem using anomalous dispersion methods. Protein crystallization conditions were first optimized using an experimental phas

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13

Yakubovich, O. V., and O. V. Dimitrova. "Novel Polyoxovanadate K2ZnV5O14: Crystal Structure and Peculiarities of Crystal Chemistry." Crystallography Reports 63, no. 5 (2018): 738–44. http://dx.doi.org/10.1134/s1063774518050322.

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14

Wierzbicka-Wieczorek, Maria, and Gerald Giester. "Novel silicates with apatite crystal structure type." Acta Crystallographica Section A Foundations of Crystallography 69, a1 (2013): s458. http://dx.doi.org/10.1107/s0108767313096025.

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15

Wierzbicka-Wieczorek, Maria, and Gerald Giester. "Novel silicates with apatite crystal structure type." Acta Crystallographica Section A Foundations of Crystallography 69, a1 (2013): s133. http://dx.doi.org/10.1107/s0108767313098887.

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16

Tratsiak, Katsiaryna, Tatyana Prudnikova, Ivana Drienovska, et al. "Crystal structure of the novel haloalkane dehalogenases." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1678. http://dx.doi.org/10.1107/s2053273314083211.

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Haloalkane dehalogenases (EC 3.8.1.5; HLDs) are microbial enzymes with catalytic activity for the hydrolytic conversion of xenobiotic and highly toxic halogenated aliphatic compounds to the corresponding alcohols. Biodegradation, biosensing, biocatalysis and cellular imaging are potentially practical applications for the HLDs. Two newly isolated and purified psychrophilic haloalkane dehalogenases, exhibiting interesting catalytic properties, DpcA from Psychrobacter cryohalolentis K5 and DmxA from Marinobacter sp. ELB17, were used for the crystallization experiments and structure determination.

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17

TURSINA, A. I., A. V. GRIBANOV, N. G. BUKHAN’KO, P. ROGL, and Y. D. SEROPEGIN. "Crystal structure of the novel compound Ce3Pt4Al6." Chemistry of Metals and Alloys 1, no. 1 (2008): 62–66. http://dx.doi.org/10.30970/cma1.0027.

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18

Day, Graeme. "Insight from energy surfaces: structure prediction by lattice energy exploration." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C28. http://dx.doi.org/10.1107/s2053273314099719.

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A long-standing challenge for the application of computational chemistry in the field of crystallography is the prediction of crystal packing, given no more than the chemical bonding of the molecules being crystallised. Recent years have seen significant progress towards reliable crystal structure prediction methods, even for traditionally challenging systems involving flexible molecules and multi-component solids [1]. These methods are based on global searches of the lattice energy surface: a search is performed to locate all possible packing arrangements, and these structures are ranked by t

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19

Filatov, Stanislav K., Yaroslav P. Biryukov, Rimma S. Bubnova, and Andrey P. Shablinskii. "The novel borate Lu5Ba6B9O27 with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 4 (2019): 697–703. http://dx.doi.org/10.1107/s2052520619007443.

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Single crystals of Lu5Ba6B9O27 were obtained by cooling from a melt and polycrystals of the borate were prepared using a multi-step solid-state synthesis. The crystal structure was determined from single-crystal X-ray diffraction data. The borate crystallizes in a new structure type in the monoclinic crystal system in space group C2/c, with cell parameters a = 13.0927 (3), b = 9.9970 (2) and c = 20.4884 (4) Å, β = 106.827 (1)°, V = 2566.86 (9) Å3 and Z = 4. It is described as a framework composed of rings consisting of vertex-sharing [BO3] triangles and [LuO6] octahedra. The Ba atoms are in th

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20

Kleppa, Kurt O., Norbert A. Harringer, and Hubert Preßlinger. "Ca10V5.2Fe0.8O24, a Novel Oxometalate with Discrete Complex Anions." Zeitschrift für Naturforschung B 58, no. 11 (2003): 1112–16. http://dx.doi.org/10.1515/znb-2003-1113.

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Abstract Lustrous needle shaped prismatic single crystals of the new compound Ca10V5.2Fe0.8O24 were obtained out of a sample with nominal composition Ca2Fe1.6V0.4O5 prepared at 1400 °C. The crystals are opaque and stable to humid air. Ca10V5.2Fe0.8O24 crystallizes with a new structure type, space group Pnma with a = 6.803(3), b = 16.015(8), c = 10.418(7)Å , Z = 2, R = 0.041. The crystal structure is characterized by two mononuclear tetrahedral species, MO4, which differ significantly from each other with respect to their M-O bond lengths. One with an average bond distance of 1.709(8)Å represen

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21

Averkiev, Boris B., Iryna Davydenko, Xu Wang, Stephen Barlow, and Seth R. Marder. "Crystal structure of 5,6-bis(9H-carbazol-9-yl)benzo[c][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure." Acta Crystallographica Section C Structural Chemistry 73, no. 4 (2017): 319–24. http://dx.doi.org/10.1107/s2053229617003035.

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Nucleophilic substitution of F atoms in 5,6-difluorobenzo[c][1,2,5]thiadiazole (DFBT) for carbazole could be potentially interesting as a novel way of synthesizing building blocks for new conjugated materials for applications in organic chemistry. The crystal structures of 5,6-bis(9H-carbazol-9-yl)benzo[c][1,2,5]thiadiazole (DCBT), C30H18N4S, and its hydrate, C30H18N4S·0.125H2O, were investigated using single-crystal X-ray analysis. The hydrate contains two symmetry-independent DCBT molecules. The dihedral angles between the plane of the central benzothiadiazole fragment and that of the carbaz

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22

Porada, Jan H., Jörg-M. Neudörfl, and Dirk Blunk. "Planar and distorted indigo as the core motif in novel chromophoric liquid crystals." New Journal of Chemistry 39, no. 11 (2015): 8291–301. http://dx.doi.org/10.1039/c5nj01594d.

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23

Shevelkov, A. V., E. V. Dikarev, and B. A. Popovkin. "A Novel Metallic Halide, Hg2As3Br: Synthesis and Crystal Structure, and Crystal Structure of Cd2As3Br." Journal of Solid State Chemistry 113, no. 1 (1994): 116–19. http://dx.doi.org/10.1006/jssc.1994.1348.

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24

KIRUBAVATHI, K., K. SELVARAJU, and S. KUMARARAMAN. "STUDIES ON GROWTH AND CHARACTERIZATION OF BIS THIOUREA LEAD CHLORIDE: A NOVEL NONLINEAR OPTICAL CRYSTAL." Journal of Nonlinear Optical Physics & Materials 18, no. 01 (2009): 153–59. http://dx.doi.org/10.1142/s0218863509004531.

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Single crystals of the metal-organic nonlinear optical material bis thiourea lead chloride were grown from solution growth technique for the first time. The grown crystals were characterized by single crystal X-ray diffraction analysis to confirm the crystal structure. The presence of various functional groups and the coordination of metal ions to thiourea were confirmed by Fourier transform infrared analysis. UV-Vis. spectrum was recorded to study the optical transparency of the grown crystals. The second order nonlinear optical property of the grown crystal was examined by Kurtz powder techn

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25

Tamboli, Majid Ismail, Yohei Utusmi, Takayuki Furuishi, Kaori Fukuzawa, and Etsuo Yonemochi. "Crystal Structure of Novel Terephthalate Salt of Antiarrhythmic Drug Disopyramide." Crystals 11, no. 4 (2021): 368. http://dx.doi.org/10.3390/cryst11040368.

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1:1 salt of Disopyramide (DPA) with Terephthalic acid (TA) was obtained by the slow solvent evaporation and the slurry crystallization methods. X-ray single crystal diffraction of DPA:TA confirmed the formation of salt by the transfer of an acidic proton from one of the carboxylic acidic groups of TA to the tertiary amino group of the chain moiety (N3-nitrogen atom) of the DPA molecules. DPA:TA salt crystals crystalize in the triclinic system with space group P-1. The asymmetric unit, comprising one protonated DPA and one TA anion, are linked by a strong charge assisted N+–H∙∙∙O¯ hydrogen bond

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26

Kimura, Fumiko, Wataru Oshima, Hiroko Matsumoto, et al. "Magnetically Oriented Powder Crystal to Indexing and Structure Determination." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1560. http://dx.doi.org/10.1107/s2053273314084393.

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In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned thr

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27

Li, Xianbo, та Qin Zhang. "Effect of Molecular Structure of Organic Acids on the Crystal Habit of α-CaSO4·0.5H2O from Phosphogypsum". Crystals 10, № 1 (2020): 24. http://dx.doi.org/10.3390/cryst10010024.

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The organic acid crystal modifiers play an important role in the control of the crystal habit of α-hemihydrate gypsum (α-CaSO4·0.5H2O) from phosphogypsum, but the molecular structure characteristics of crystal modifiers have not been clarified, which makes it difficult to judge whether an organic acid has the ability to regulate the crystal habit of α-CaSO4·0.5H2O directly. In this work, the effect of organic acids with different molecular structures on the crystal habit of α-CaSO4·0.5H2O and its adsorption differences onto the α-CaSO4·0.5H2O surface were explored. The results show that the mo

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28

Li, Fangzhi, Chunfeng Hu, Jiemin Wang, Bin Liu, Jingyang Wang, and Yanchun Zhou. "Crystal Structure and Electronic Structure of a Novel Hf3AlN Ceramic." Journal of the American Ceramic Society 92, no. 2 (2009): 476–80. http://dx.doi.org/10.1111/j.1551-2916.2008.02880.x.

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29

Valle, Mario, and Artem R. Oganov. "Crystal fingerprint space – a novel paradigm for studying crystal-structure sets." Acta Crystallographica Section A Foundations of Crystallography 66, no. 5 (2010): 507–17. http://dx.doi.org/10.1107/s0108767310026395.

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30

Anandha babu, G., P. Ramasamy, K. Ravikumar, and B. Sridhar. "Crystal structure and characterization of a novel organic crystal: 4-Dimethylaminobenzophenone." Materials Research Bulletin 44, no. 6 (2009): 1265–69. http://dx.doi.org/10.1016/j.materresbull.2009.01.007.

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31

Wojtaś, M., A. Ga¸gor, O. Czupiński, W. Medycki, and R. Jakubas. "Crystal structure and characterization of the novel hydrogen bonded polar crystal." Journal of Solid State Chemistry 187 (March 2012): 35–44. http://dx.doi.org/10.1016/j.jssc.2011.12.020.

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32

Reiss, Céleste A., Jan B. van Mechelen, Kees Goubitz, and René Peschar. "Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data." Acta Crystallographica Section C Structural Chemistry 74, no. 3 (2018): 392–99. http://dx.doi.org/10.1107/s2053229618002619.

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Paracetamol [N-(4-hydroxyphenyl)acetamide, C8H9NO2] has several polymorphs, just like many other drugs. The most stable polymorphs, denoted Forms I and II, can be obtained easily and their crystal structures are known. Crystals of the orthorhombic, less stable, room-temperature Form III are difficult to grow; they need a special recipe to crystallize and suffer from severe preferred orientation. A crystal structure model of Form III has been proposed and solved from a combination of structure prediction and powder X-ray diffraction (PXRD) [Perrinet al.(2009).Chem. Commun.22, 3181–3183]. The fi

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33

Inam, Muhammad, Jiajia Wu, Jie Shen, Chi Phan, Guping Tang, and Xiurong Hu. "Preparation and Characterization of Novel Pharmaceutical Co-Crystals: Ticagrelor with Nicotinamide." Crystals 8, no. 9 (2018): 336. http://dx.doi.org/10.3390/cryst8090336.

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Two new co-crystals, Ticagrelor with Nicotinamide, have been prepared with improved solubility. Because Ticalegor has a poor solubility and dissolution rate, a novel co-crystallization method with structurally homogenous crystalline material, an active pharmaceutical ingredient (API), and co-former indefinite stoichiometric amount has been made to improve Ticagrelor’s solubility. The co-crystal of Ticagrelor (TICA) with Nicotinamide (NCA) was prepared in ratio (1:1) and confirmed by FTIR, DSC, and XRD characterization. Furthermore, the single crystal structure of TICA-NCA hydrate was analyzed.

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34

Liu, Ying, and Haixing Liu. "Study on novel structure of Mn complex, C24H18CrMnN4O5." E3S Web of Conferences 252 (2021): 02071. http://dx.doi.org/10.1051/e3sconf/202125202071.

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The novel Mn complex C24H18CrMnN4O5 was investigated by hydrothermal and its crystal structure was characterized using X-ray diffraction technology. The Mn atom is six coordinated by four N atom from two 1, 10-phenanthroline and two O atoms from CrO4-. The hydrogen bonding O-H...O had central effect for crystal stability.

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35

Zhang, Tianyao, Zhaohui Zhang, and Mark A. Arnold. "Crystal Structure-Free Method for Dielectric and Polarizability Characterization of Crystalline Materials at Terahertz Frequencies." Applied Spectroscopy 75, no. 6 (2021): 647–53. http://dx.doi.org/10.1177/0003702821991594.

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Terahertz (THz) time-domain spectroscopy provides a direct and nondestructive method for measuring the dielectric properties of materials directly from the phase delay of coherent electromagnetic radiation propagating through the sample. In cases when crystals are embedded within an inert polymeric pellet, the Landau, Lifshitz, and Looyenga (LLL) effective medium model can be used to extract the intrinsic dielectric constant of the crystalline sample. Subsequently, polarizability can be obtained from the Clausius–Mossotti (CM) relationship. Knowledge of the crystal structure density is require

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36

Shruthi, C., V. Ravindrachary, K. Byrappa, et al. "Synthesis, Optical and Thermal Properties of 1-(4-Methoxyphenyl)-2-((5-(1-(Naphthalene-1-Yloxy)Ethyl)-[1,3,4]-Oxadiazol-2-Yl)Sulfanyl)Ethanoe - A Novel Heterocyclic Compound." Materials Science Forum 962 (July 2019): 10–16. http://dx.doi.org/10.4028/www.scientific.net/msf.962.10.

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A novel heterocyclic compound, 1-(4-methoxy phenyl)-2-((5-(1-(naphthalen-1-yloxy) ethyl) -[1,3,4]-oxadiazol-2-yl) sulfanyl) ethanone was synthesized using standard method and chemical structure of the synthesized compound was identified using FTIR spectrum. Needle shaped single crystals have been grown using solution growth technique. The grown crystals were characterized using single crystal XRD, UV-visible and Thermal analysis. The crystal structure study shows that the compound crystallizes in Monoclinic crystal system with a space group of P21/a and cell parameters are determined. UV-Visib

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37

Bezzu, C. Grazia, Madeleine Helliwell, Benson M. Kariuki, and Neil B. McKeown. "Synthesis and crystal structure of a novel phthalocyanine-calixarene conjugate." Journal of Porphyrins and Phthalocyanines 15, no. 07n08 (2011): 686–90. http://dx.doi.org/10.1142/s1088424611003628.

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We report the synthesis and crystal structure of a novel phthalocyanine-calixarene conjugate (Pc-Calix) derived from a calixarene-based phthalonitrile (Pn-Calix). Crystal structures confirm the retention of the full cone configuration of the calixarene unit, which is thus suitable for the binding of appropriate chemical species. This new conjugate may find application as a molecular sensor in which the calixarene acts as the binding site and the perturbations of the optical properties of the phthalocyanine reports the presence of the binding species.

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38

Schreyer, Martin, Liangfeng Guo, Satyanarayana Thirunahari, Feng Gao, and Marc Garland. "Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods." Journal of Applied Crystallography 47, no. 2 (2014): 659–67. http://dx.doi.org/10.1107/s1600576714003379.

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Crystal structure determination is the key to a detailed understanding of crystalline materials and their properties. This requires either single crystals or high-quality single-phase powder X-ray diffraction data. The present contribution demonstrates a novel method to reconstruct single-phase powder diffraction data from diffraction patterns of mixtures of several components and subsequently to determine the individual crystal structures. The new method does not require recourse to any database of known materials but relies purely on numerical separation of the mixture data into individual c

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Ruseikina, Anna V., Maxim V. Grigoriev, Leonid A. Solovyov, et al. "A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties." International Journal of Molecular Sciences 23, no. 20 (2022): 12438. http://dx.doi.org/10.3390/ijms232012438.

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We report on the novel heterometallic quaternary sulfides SrLnCuS3 (Ln = La, Nd, Tm), obtained as both single crystals and powdered samples. The structures of both the single crystal and powdered samples of SrLaCuS3 and SrNdCuS3 belong to the orthorhombic space group Pnma but are of different structural types, while both samples of SrTmCuS3 crystallize in the orthorhombic space group Cmcm with the structural type KZrCuS3. Three-dimensional crystal structures of SrLaCuS3 and SrNdCuS3 are formed from the (Sr/Ln)S7 capped trigonal prisms and CuS4 tetrahedra. In SrLaCuS3, alternating 2D layers are

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Fuller, DJ, DL Kepert, BW Skelton, and AH White. "Structure, Stereochemistry and Novel 'Hydrogen Bonding' in Two Bipyridinium Salts of the B10H102- Anion." Australian Journal of Chemistry 40, no. 12 (1987): 2097. http://dx.doi.org/10.1071/ch9872097.

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Crystal structure determinations of (LH)2(B10H10), (1), and (LH2)(B10H10), (2), L = 2,2'- bipyridine , have been carried out by single-crystal X-ray diffraction methods at 295 K, being refined by full-matrix least squares to residuals of 0.041, 0.047 for 1758, 1771 'observed' independent reflections respectively. Crystals of (1) are monoclinic, P21/n, a 12.040(7), b 17.71(1), c 11.142(4) �, β 101.78(4)�, Z 4. Crystals of (2) are monoclinic, P21/c, a 9.937(4), b 10.837(3), c 14.856(5) �, β 109 2l(3)�, Z 4. The colour of the compounds is accounted for by charge-transfer interactions of a novel t

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Hou, Xiaomeng, Linfei Xu, Xuesong Tang, Yang Song, and Yinjuan Bai. "Synthesis and Crystal Structure of Novel Benzimidazole Cyclophanes." Chinese Journal of Organic Chemistry 33, no. 3 (2013): 643. http://dx.doi.org/10.6023/cjoc201209043.

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Shcherbakova, Ye V., G. V. Ivanova, V. S. Gaviko, and A. M. Gabay. "Crystal structure of novel ferromagnetic LaFe13−xGaxC compounds." Journal of Magnetism and Magnetic Materials 267, no. 1 (2003): 26–34. http://dx.doi.org/10.1016/s0304-8853(03)00300-7.

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Kim, Sungho, Roger Bishop, Donald C. Craig, Ian G. Dance, and Marcia L. Scudder. "Formation and crystal structure of a novel azabishomotwistane." Journal of Organic Chemistry 55, no. 1 (1990): 355–58. http://dx.doi.org/10.1021/jo00288a064.

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Lisnyak, V. V., N. V. Stus, N. S. Slobodyanik, N. M. Belyavina, and V. Ya Markiv. "Crystal structure of a novel cubic pyrophosphate WP2O7." Journal of Alloys and Compounds 309, no. 1-2 (2000): 83–87. http://dx.doi.org/10.1016/s0925-8388(00)00922-1.

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Stępień-Damm, J., Z. Bukowski, V. I. Zaremba, A. P. Pikul, and D. Kaczorowski. "Crystal structure of a novel cerium indide Ce6Pt11In14." Journal of Alloys and Compounds 379, no. 1-2 (2004): 204–8. http://dx.doi.org/10.1016/j.jallcom.2004.03.070.

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Zou Jun, Huang Tao-Hua, Wang Jun, Zhang Lian-Han, Zhou Sheng-Ming, and Xu Jun. "The structure analysis of novel Ti: LiAlO2 crystal." Acta Physica Sinica 55, no. 7 (2006): 3536. http://dx.doi.org/10.7498/aps.55.3536.

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Schnering, H. G. von, R. Kröner, W. Carrillo-Cabrera, K. Peters, and R. Nesper. "Crystal structure of the novel chiral clathrate, Ba6In4Ge21." Zeitschrift für Kristallographie - New Crystal Structures 213, no. 1-4 (1998): 705–6. http://dx.doi.org/10.1524/ncrs.1998.213.14.705.

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Morozova, Yu, A. Gribanov, E. Murashova, et al. "Novel ternary compound Ce4Pt9Al13: Crystal structure, physical properties." Journal of Alloys and Compounds 767 (October 2018): 496–503. http://dx.doi.org/10.1016/j.jallcom.2018.07.146.

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Grytsiv, A., P. Rogl, E. Bauer, H. Michor, E. Royanian, and G. Giester. "Novel silicide BaPt5Si12: Crystal structure and physical properties." Intermetallics 18, no. 1 (2010): 173–78. http://dx.doi.org/10.1016/j.intermet.2009.07.009.

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Fedorchuk, A. O., G. Lakshminarayana, Y. O. Tokaychuk, and O. V. Parasyuk. "The crystal structure of novel silver sulphogermanate Ag10Ge3S11." Journal of Alloys and Compounds 576 (November 2013): 134–39. http://dx.doi.org/10.1016/j.jallcom.2013.04.110.

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