Search results

Formula: - C57 H74 O11 -
Comments: Zhang, Zibin; Yu, Guocan; Han, Chengyou; Liu, Jiyong; Ding, Xia; Yu, Yihua; Huang, Feihe Formation of a cyclic dimer containing two mirror image monomers in the solid state controlled by van der Waals forces. Organic letters 13(18) (2011) 4818-4821
Space group: P n 21 a
Cell volume: 5086.8
Cell parameters: 36.409; 11.5008; 12.1481; 90; 90; 90;

COD ID: 1504419
CIF file	Formula: - C14 H18 Cl2 Zr - Comments: Huang, Rubin; Duchateau, Robbert; Koning, Cor E.; Chadwick, John C. Zirconocene Immobilization and Activation on MgCl2-Based Supports: Factors Affecting Ethylene Polymerization Activity Macromolecules 41(3) (2008) 579 Space group: P n 21 a Cell volume: 1498.2 Cell parameters: 6.6716; 10.4461; 21.497; 90; 90; 90;

COD ID: 1518116
CIF file	Formula: - As K O5 Ti - Comments: El Brahimi, M.; Durand, J. Structure et proprietes d'optique non lineaire de KTiOAsO4 Revue de Chimie Minerale 23 (1986) 146-153 Space group: P n 21 a Cell volume: 923.4 Cell parameters: 13.103; 10.746; 6.558; 90; 90; 90;

COD ID: 1519652
CIF file	Formula: - C47 H59 N O5 - Comments: Slavík, Petr; Eigner, Václav; Lhoták, Pavel Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds. Organic letters 17(11) (2015) 2788-2791 Space group: P n 21 a Cell volume: 12416.9 Cell parameters: 18.4589; 58.006; 11.59672; 90; 90; 90;

COD ID: 1519684
CIF file	Formula: - C12 H33 B18 N Ni - Comments: Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound Acta Chemica Scandinavica 53 (1999) 721-730 Space group: P n 21 a Cell volume: 2293.2 Cell parameters: 9.476; 13.16; 18.389; 90; 90; 90;

COD ID: 1522289
CIF file	Formula: - C48 H112 Al4 N4 O192 Si92 - Comments: Yokomori, Y.; Idaka, S. The structure of TPA-ZSM-5 with Si/Al=23 Microporous and Mesoporous Materials 28 (1999) 405-413 Space group: P n 21 a Cell volume: 5367.95 Cell parameters: 20.072; 19.937; 13.414; 90; 90; 90;

COD ID: 1523633
CIF file	Formula: - Cl4 H2 O2 Re - Comments: Frais, P.W.; Lock, C.J.L. The preparation, physical properties, and structure of oxotetrachloroaquorhenium(VI), Re O Cl4 (O H2) Canadian Journal of Chemistry 50 (1972) 1811-1818 Space group: P n 21 a Cell volume: 662.803 Cell parameters: 10.834; 11.089; 5.517; 90; 90; 90;

COD ID: 1524531
CIF file	Formula: - Ce P3 Si - Comments: Hayakawa, H.; Ono, S.; Sasaki, Y.; Kobayashi, A. The crystal structure of cerium silicon triphosphide Ce Si P3 Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-) 9 (1978) 1214-1220 Space group: P n 21 a Cell volume: 846.827 Cell parameters: 5.861; 5.712; 25.295; 90; 90; 90;

COD ID: 1525708
CIF file	Formula: - Nb O4 S3 Sm3 - Comments: Boyer-Candalen, C.; Meerschaut, A.; Palvadeau, P. Crystal structure determination of the new compound Sm3 Nb O4 S3 Materials Research Bulletin 35 (2000) 1593-1601 Space group: P n 21 a Cell volume: 728.681 Cell parameters: 6.689; 7.663; 14.216; 90; 90; 90;

COD ID: 1527734
CIF file	Formula: - As Li Mo O6 - Comments: Linnros, B. The crystal structure of Li Mo O2 As O4 Acta Chemica Scandinavica (1-27,1973-42,1988) 24 (1970) 3711-3722 Space group: P n 21 a Cell volume: 409.91 Cell parameters: 9.3792; 8.9114; 4.9043; 90; 90; 90;

COD ID: 1527924
CIF file	Formula: - P4 Se5 - Comments: Penney, G.J.; Sheldrick, G.M. Crystal and molecular structure of tetraphosphorus pentaselenide Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1971 (1971) 245-248 Space group: P n 21 a Cell volume: 953.18 Cell parameters: 12.79; 11.19; 6.66; 90; 90; 90;

COD ID: 1528390
CIF file	Formula: - Ba H O4 P - Comments: Burley, G. Crystal Structure of Barium Hydrogen Orthophosphate Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry 60 (1958) 23-27 Space group: P n 21 a Cell volume: 1111.51 Cell parameters: 14.12; 17.15; 4.59; 90; 90; 90;

COD ID: 1529921
CIF file	Formula: - Cu2 O5 Y2 - Comments: Famery, R.; Queyroux, F. Crystal Structure Refinement of Y2 Cu2 O5 from Single Crystal X-Ray Diffraction Data Materials Research Bulletin 24 (1989) 275-281 Space group: P n 21 a Cell volume: 472.882 Cell parameters: 10.832; 12.491; 3.495; 90; 90; 90;

COD ID: 1530035
CIF file	Formula: - Be F4 Na2 - Comments: Guseinov, G.G.; Ilyukhin, V.V.; Belov, N.V. The crystal structure of Na-orthofluoroberyllate Na2 Be F4 gamma Doklady Akademii Nauk SSSR 163 (1965) 94-96 Space group: P n 21 a Cell volume: 253.992 Cell parameters: 10.181; 5.61; 4.447; 90; 90; 90;

COD ID: 1530519
CIF file	Formula: - Be F4 H8 N2 - Comments: Onodera, A.; Shiozaki, Y. X-ray study of crystal structures and phase transition in ferroelectric ammonium fluoberyllate (N H4)2 Be F4 Journal of the Physical Society of Japan 46 (1979) 157-166 Space group: P n 21 a Cell volume: 935.746 Cell parameters: 15.1048; 10.4821; 5.9101; 90; 90; 90;

COD ID: 1531645

Formula: - Bi6.2 Cu6.2 O28 P5 -
Comments: Ketatni, E.M.; Huve, M.; Abraham, F.; Mentre, O. Characterization of the new Bi6.2 Cu6.2 O8 (P O4)3 oxyphosphate; a disordered compound containing 2- and 3- (O (Bi, Cu)4) tetrahedra - wide polycationic ribbons Journal of Solid State Chemistry 172 (2003) 327-338
Space group: P n 21 a
Cell volume: 2272.12
Cell parameters: 11.599; 5.218; 37.541; 90; 90; 90;

COD ID: 1531978
CIF file	Formula: - O14 P4 U2 - Comments: Podor, R.; Francois, M.; Dacheux, N. Synthesis, characterization and structure determination of the orthorhombic U2 (P O4) (P3 O10) Journal of Solid State Chemistry 172 (2003) 66-72 Space group: P n 21 a Cell volume: 1040.38 Cell parameters: 11.526; 7.048; 12.807; 90; 90; 90;

COD ID: 1533028
CIF file	Formula: - Na2 O5 Si2 - Comments: Rakic, S.; Kahlenberg, V.; Schmidt, B.C. Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5 Solid State Sciences 5 (2003) 473-480 Space group: P n 21 a Cell volume: 470.41 Cell parameters: 8.128; 4.8322; 11.977; 90; 90; 90;

COD ID: 1533029
CIF file	Formula: - K0.16 Na1.84 O5 Si2 - Comments: Rakic, S.; Kahlenberg, V.; Schmidt, B.C. Hydrothermal synthesis and structural characterization of kappa-(Na2 Si O5) and Na1.84 K0.16 Si2 O5 Solid State Sciences 5 (2003) 473-480 Space group: P n 21 a Cell volume: 478.633 Cell parameters: 8.172; 4.8493; 12.078; 90; 90; 90;

COD ID: 1534823
CIF file	Formula: - Bi Cl3 - Comments: Bartl, H. Meßzeitersparnis durch Profilauswertung bei der Registrierung von Neutroneneinkristallreflexen. Die Kristallstruktur von Wismuttrichlorid, BiCl~3~ Fresenius' Zeitschrift für analytische Chemie 312(1) (1982) 17-18 Space group: P n 21 a Cell volume: 441.215 Cell parameters: 7.67; 9.16; 6.28; 90; 90; 90;

COD ID: 1534950

Formula: - Al F K O4 P -
Comments: Slovokhotova, O.L.; Ilyushin, G.D.; Tsirel'son, V.G.; Triodina, N.S.; Gerr, R.G.; Dem'yanets, L.N.; Mel'nikov, O.K. Atomic and electronic structure peculiarities of new non-linear optical crystal K Al F P O4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 32 (1991) 103-109
Space group: P n 21 a
Cell volume: 791.236
Cell parameters: 12.522; 10.149; 6.226; 90; 90; 90;

COD ID: 1537693
CIF file	Formula: - Mo4 O11 - Comments: Asbrink, S.; Kihlborg, L. A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 1571-1573 Space group: P n 21 a Cell volume: 890.966 Cell parameters: 24.4; 5.45; 6.7; 90; 90; 90;

COD ID: 1541040
CIF file	Formula: - Br3 Ge Rb - Comments: Thiele, G.; Rotter, H.W.; Schmidt, K.D. Die Kristallstrukturen und Phasentransformationen von Rb Ge Br3 Zeitschrift fuer Anorganische und Allgemeine Chemie 559 (1988) 7-16 Space group: P n 21 a Cell volume: 695.974 Cell parameters: 8.129; 11.249; 7.611; 90; 90; 90;

COD ID: 1541784
CIF file	Formula: - Bi Cs2 H2 N5 O16 - Comments: Lazarini, F.; Leban, I. Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O Crystal Structure Communications 11 (1982) 653-657 Space group: P n 21 a Cell volume: 1517.94 Cell parameters: 26.433; 7.139; 8.044; 90; 90; 90;

COD ID: 1541994
CIF file	Formula: - Cl3 H17 N6 O2 Ru - Comments: Khodashova, T.S. Arrangement in crystals of ruthenium nitrosopentaamminetrichloride Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 4 (1963) 111-112 Space group: P n 21 a Cell volume: 1161.47 Cell parameters: 11.906; 6.884; 14.171; 90; 90; 90;

COD ID: 1542250
CIF file	Formula: - F4 K2 O V - Comments: Waltersson, K.; Karlsson, B. K2 V O F4 Crystal Structure Communications 7 (1978) 459-462 Space group: P n 21 a Cell volume: 478.626 Cell parameters: 7.403; 5.65; 11.443; 90; 90; 90;

COD ID: 1543068

Formula: - C28 H29 B F4 N2 O3 -
Comments: Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J. Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range Chem. Sci. 7(7) (2016) 4685
Space group: P n 21 a
Cell volume: 5070.46
Cell parameters: 22.69881; 21.08434; 10.5946; 90; 90; 90;

COD ID: 1545921
CIF file	Formula: - O7 Th V2 - Comments: Launay, S.; Mahe, P.; Quarton, M.; Robert, F. Polymorphisme et structure cristalline de ThV2O7 Journal of Solid State Chemistry 97 (1992) 305-313 Space group: P n 21 a Cell volume: 1138.8 Cell parameters: 7.201; 22.771; 6.945; 90; 90; 90;

COD ID: 1547200

Formula: - C20 H16 O2 -
Comments: Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae. Analytical chemistry 89(19) (2017) 10625-10636
Space group: P n 21 a
Cell volume: 2921.5
Cell parameters: 17.5147; 33.238; 5.0184; 90; 90; 90;

COD ID: 1548092

Formula: - C41 H91 Li N5 O4 Si3 U -
Comments: David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications 7 (2016) 13773
Space group: P n 21 a
Cell volume: 5061.83
Cell parameters: 25.5519; 13.37345; 14.81292; 90; 90; 90;

COD ID: 1551556
CIF file	Formula: - C23 H15 N O3 - Comments: RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one X-ray Structure Analysis Online 34 (2018) 5 Space group: P n 21 a Cell volume: 1748.5 Cell parameters: 6.9988; 11.4808; 21.7608; 90; 90; 90;

COD ID: 1553557
CIF file	Formula: - C25 H18 O2 - Comments: Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G. Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans Organic Chemistry Frontiers 4(6) (2017) 972 Space group: P n 21 a Cell volume: 1824.88 Cell parameters: 14.3717; 5.917; 21.4597; 90; 90; 90;

COD ID: 1562111

Formula: - Cs8 Cu4.4 O63.6 P16 V7.6 -
Comments: Shvanskaya, Larisa; Yakubovich, Olga; Bychkov, Andrey; Shcherbakov, Vasiliy; Golovanov, Alexey; Zvereva, Elena; Volkova, Olga; Vasiliev, Alexander A cesium copper vanadyl-diphosphate: Synthesis, crystal structure and physical properties Journal of Solid State Chemistry 222 (2015) 44-52
Space group: P n 21 a
Cell volume: 1472.46
Cell parameters: 13.7364; 9.2666; 11.5678; 90; 90; 90;

COD ID: 1564946
CIF file	Formula: - C20 H14 O2 - Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021) Space group: P n 21 a Cell volume: 1262.4 Cell parameters: 7.03; 16.147; 11.1214; 90; 90; 90;

COD ID: 1564947
CIF file	Formula: - C20 H14 O2 - Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021) Space group: P n 21 a Cell volume: 1259.7 Cell parameters: 7.0202; 16.0775; 11.161; 90; 90; 90;

COD ID: 1564948
CIF file	Formula: - C20 H14 O2 - Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021) Space group: P n 21 a Cell volume: 1245.7 Cell parameters: 6.9714; 16.139; 11.072; 90; 90; 90;

COD ID: 1565761

Formula: - C12 H20 N2 Pb S4 -
Comments: Mlowe, Sixberth; Shombe, Ginena B.; Akerman, Matthew P.; Mubofu, Egid B.; O'Brien, Paul; Mashazi, Philani; Nyokong, Tebello; Revaprasadu, Neerish Morphological influence of deposition routes on lead sulfide thin films Inorganica Chimica Acta 498 (2019) 119116
Space group: P n 21 a
Cell volume: 1614.6
Cell parameters: 16.086; 22.565; 4.4482; 90; 90; 90;

COD ID: 1570108
CIF file	Formula: - Ca2 Fe2 O5 - Comments: Kuwamura, R.; Takagi, S.; Kyono, A. Pressure-induced phase transition of oxygen defective perovskite srebrodolskite Ca2Fe2O5 @ 12.6 GPa Journal of Mineralogical and Petrological Sciences 118:017 (2023) 1-9 Space group: P n 21 a Cell volume: 404.67 Cell parameters: 5.2289; 14.2548; 5.4291; 90; 90; 90;

COD ID: 2001816
CIF file Original IUCr paper	Formula: - C13 H21 Cu N5 O2 S - Comments: Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S. Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II) Acta Crystallographica Section C 49(4) (1993) 801-803 Space group: P n 21 a Cell volume: 1713.9 Cell parameters: 7.5322; 12.652; 17.985; 90; 90; 90;

COD ID: 2002203
CIF file	Formula: - Ca2 Nb2 O7 - Comments: Scheunemann, K; Mueller-Buschbaum, Hk Zur Kristallstruktur von Ca2 Nb2 O7 Journal of Inorganic and Nuclear Chemistry 36 (1974) 1965-1970 Space group: P n 21 a Cell volume: 1119.5 Cell parameters: 26.45699; 5.501; 7.692; 90; 90; 90;

COD ID: 2002206
CIF file	Formula: - Ba2 Cr O4 - Comments: Mattausch, H J; Mueller-Buschbaum, Hk Zur Kristallstruktur von Ba2 Cr O4 Zeitschrift fuer Anorganische und Allgemeine Chemie 407 (1974) 129-134 Space group: P n 21 a Cell volume: 469.4 Cell parameters: 7.67; 5.89; 10.39; 90; 90; 90;

COD ID: 2007855

Formula: - C22 H21 B N2 -
Comments: Bélanger, Suzanne; Beauchamp, André L. (1-Methylimidazole-N^3^)triphenylboron Acta Crystallographica Section C 54(11) (1998) IUC9800057
Space group: P n 21 a
Cell volume: 1789.7
Cell parameters: 15.096; 7.329; 16.176; 90; 90; 90;

COD ID: 2008940
CIF file Original IUCr paper	Formula: - Al As1.6 K2 Nb1.4 O10 - Comments: Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~ Acta Crystallographica Section C 55(9) (1999) 1391-1393 Space group: P n 21 a Cell volume: 916.65 Cell parameters: 13.006; 10.648; 6.619; 90; 90; 90;

COD ID: 2009539
CIF file Original IUCr paper	Formula: - C12 H9 O10 Os3 P - Comments: Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M. A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands Acta Crystallographica Section C 50(3) (1994) 371-375 Space group: P n 21 a Cell volume: 2017.1 Cell parameters: 15.995; 12.958; 9.732; 90; 90; 90;

COD ID: 2009689
CIF file Original IUCr paper	Formula: - C3 H7 N O - Comments: Hamzaoui, F.; Baert, F. X-ray study of static disorder in <i>N</i>-methylacetamide Acta Crystallographica Section C 50(5) (1994) 757-759 Space group: P n 21 a Cell volume: 438 Cell parameters: 9.65; 6.33; 7.17; 90; 90; 90;

COD ID: 2021787

Formula: - Ba4 F23 Y Zr3 -
Comments: Laval, Jean-Paul; Taoudi, Abdelkrim Ba~4~YZr~3~F~23~ and Ba~4~LnZr~3~F~23~: a new noncentrosymmetric potential host structure type for optical devices Acta Crystallographica Section C 75(11) (2019)
Space group: P n 21 a
Cell volume: 1812
Cell parameters: 19.564; 5.397; 17.161; 90; 90; 90;

COD ID: 2100005

Formula: - C6 H11 N O2 -
Comments: Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B 61(1) (2005) 96-102
Space group: P n 21 a
Cell volume: 647.331
Cell parameters: 10.8548; 9.752; 6.1152; 90; 90; 90;

COD ID: 2100787
CIF file Original IUCr paper	Formula: - C11 H12 N4 O2 S - Comments: Caria, M. R.; Mohamed, R. Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison Acta Crystallographica Section B 48(4) (1992) 492-498 Space group: P n 21 a Cell volume: 2606.5 Cell parameters: 14.474; 21.953; 8.203; 90; 90; 90;

COD ID: 2101103
CIF file Original IUCr paper	Formula: - Al28 Mn11 - Comments: Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H. Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase Acta Crystallographica Section B 50(1) (1994) 22-30 Space group: P n 21 a Cell volume: 2311.2 Cell parameters: 14.837; 12.457; 12.505; 90; 90; 90;

COD ID: 2101607

Formula: - C5 Ca Cl2 D15 N O4 -
Comments: Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M. Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate Acta Crystallographica Section B 52(5) (1996) 810-816
Space group: P n 21 a
Cell volume: 1177.7
Cell parameters: 10.905; 10; 10.8; 90; 90; 90;

COD ID: 2105588

Formula: - C5 H6 O S2 -
Comments: Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B 55(6) (1999) 963-974
Space group: P n 21 a
Cell volume: 638.1
Cell parameters: 19.513; 8.083; 4.046; 90; 90; 90;

COD ID: 2105658
CIF file Original IUCr paper	Formula: - Br4 Cs2 Hg - Comments: Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases Acta Crystallographica Section B 54(3) (1998) 197-203 Space group: P n 21 a Cell volume: 1137.2 Cell parameters: 10.27; 7.946; 13.935; 90; 90; 90;

COD ID: 2106202
CIF file	Formula: - Cl3 O P - Comments: Olie, K. The crystal structure of P O Cl3 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1459-1460 Space group: P n 21 a Cell volume: 492.455 Cell parameters: 9.185; 9.326; 5.749; 90; 90; 90;

COD ID: 2106459
CIF file	Formula: - F5 Fe K2 - Comments: Vlasse, M.; Matejka, G.; Tressaud, A.; Wanklyn, B.M. The crystal structure of K2 Fe F5 Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3377-3380 Space group: P n 21 a Cell volume: 1937.11 Cell parameters: 20.39; 7.399; 12.84; 90; 90; 90;

COD ID: 2107391
CIF file	Formula: - Cd1.3332 Na0.3333 O3.9996 V0.9999 - Comments: Ben Amara, M.; Vlasse, M.; Olazcuaga, R.; le Flem, G. The Crystal Structure of Cadmium Sodium Orthovanadate Cd4 Na (V O4)3 Acta Crystallographica B (24,1968-38,1982) 35 (1979) 50-52 Space group: P n 21 a Cell volume: 370.552 Cell parameters: 9.82; 7.04; 5.36; 90; 90; 90;

COD ID: 2202287

Formula: - Gd3 Nb O4 S3 -
Comments: Kabbour, Houria; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain A gadolinium and niobium oxide sulfide, Gd~3~NbS~3~O~4~ Acta Crystallographica Section E 59(7) (2003) i101-i102
Space group: P n 21 a
Cell volume: 714.98
Cell parameters: 6.6451; 7.5873; 14.1809; 90; 90; 90;

COD ID: 2202464
CIF file Original IUCr paper	Formula: - C14 H12 Cl N O2 - Comments: Savarimuthu Francis; Packianathan Thomas Muthiah; Galmari Venkatachalam; Rengan Ramesh 2-Chloro-(3-methoxysalicylidene)aniline Acta Crystallographica Section E 59(7) (2003) o1045-o1047 Space group: P n 21 a Cell volume: 1242.5 Cell parameters: 6.409; 13.062; 14.842; 90; 90; 90;

COD ID: 2208487

Formula: - C10 H10 N2 O S -
Comments: Hökelek, Tuncer; Seferoğlu, Zeynel; Ertan, Nermin 2-Amino-4-(4-methoxyphenyl)-1,3-thiazole Acta Crystallographica Section E 62(4) (2006) o1609-o1611
Space group: P n 21 a
Cell volume: 1001.4
Cell parameters: 7.181; 7.75; 17.994; 90; 90; 90;

COD ID: 2210964
CIF file Original IUCr paper	Formula: - C18 H21 F2 N3 - Comments: Latreche, Saida; Bouchemma, Ahcene; Bouacida, Sofiane; Mousser, Henia; Mousser, Abdelhamid 3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane Acta Crystallographica Section E 62(11) (2006) o4960-o4962 Space group: P n 21 a Cell volume: 1632.92 Cell parameters: 13.28; 13.02; 9.444; 90; 90; 90;

COD ID: 2213444

Formula: - C21 H19 N O3 -
Comments: Abdelmalek Bouraiou; Ali Belfaitah; Sofiane Bouacida; Patricia Benard-Rocherulle; Bertrand Carboni (E)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one Acta Crystallographica Section E 63(5) (2007) o2133-o2135
Space group: P n 21 a
Cell volume: 1758.13
Cell parameters: 7.6026; 14.7425; 15.6862; 90; 90; 90;

COD ID: 2215730

Formula: - C17 H13 Cl N2 Ni O S -
Comments: Das, Purak; Biswas, Achintesh Narayan Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ^3^O,N,S}nickel(II) Acta Crystallographica Section E 63(11) (2007) m2740-m2740
Space group: P n 21 a
Cell volume: 1546.2
Cell parameters: 28.717; 11.5393; 4.666; 90; 90; 90;

COD ID: 2230219

Formula: - C17 H26 O -
Comments: Faust, Rüdiger; Nauroozi, Djawed; Bruhn, Clemens; Koch, Britta; Kuhlich, Paul; Piechotta, Christian; Nehls, Irene (3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN Acta Crystallographica Section E 67(6) (2011) o1462-o1463
Space group: P n 21 a
Cell volume: 5972.5
Cell parameters: 17.6364; 29.0183; 11.6701; 90; 90; 90;

COD ID: 2238720
CIF file Original IUCr paper	Formula: - C25 H32 N4 O4 - Comments: Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane Acta Crystallographica Section E 69(11) (2013) o1669 Space group: P n 21 a Cell volume: 2310.29 Cell parameters: 38.8025; 9.7675; 6.09571; 90; 90; 90;

COD ID: 2300267
CIF file	Formula: - C2 D11 N O2 - Comments: Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography 43(2) (2010) 328-336 Space group: P n 21 a Cell volume: 532.623 Cell parameters: 12.70615; 8.84589; 4.73876; 90; 90; 90;

COD ID: 2300269
CIF file	Formula: - C2 D11 N O2 - Comments: Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography 43(2) (2010) 328-336 Space group: P n 21 a Cell volume: 554.656 Cell parameters: 12.90413; 8.96975; 4.79198; 90; 90; 90;

COD ID: 4002341
CIF file	Formula: - Mn3 Na4 O15 P4 - Comments: Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C. Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni) Chemistry of Materials (1,1989-) 13 (2001) 1334-1340 Space group: P n 21 a Cell volume: 1287.54 Cell parameters: 17.991; 6.648; 10.765; 90; 90; 90;

COD ID: 4023908

Formula: - C31 H26 Cl3 N S2 -
Comments: Peng Gao; Xinliang Feng; Xiaoyin Yang; Volker Enkelmann; Martin Baumgarten; Klaus Müllen Conjugated Ladder-Type Heteroacenes Bearing Pyrrole and Thiophene Ring Units: Facile Synthesis and Characterization Journal of Organic Chemistry 73 (2008) 9207-9213
Space group: P n 21 a
Cell volume: 2684.34
Cell parameters: 8.9981; 13.919; 21.4328; 90; 90; 90;

COD ID: 4024815

Formula: - C19 H21 N O -
Comments: Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines Journal of Organic Chemistry 74 (2009) 6735-6748
Space group: P n 21 a
Cell volume: 1557.38
Cell parameters: 8.3807; 8.5672; 21.6908; 90; 90; 90;

COD ID: 4028493
CIF file	Formula: - C13 H17 N3 O - Comments: Manman Sun; Tianshui Zhang; Weiliang Bao FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams Journal of Organic Chemistry 78 (2013) 8155-8160 Space group: P n 21 a Cell volume: 2428 Cell parameters: 20.1281; 14.9938; 8.0453; 90; 90; 90;

COD ID: 4031225

Formula: - Cl3 H17 N6 O2 Ru -
Comments: Bottomley, F. Reinvestigation of the Crystal and Molecular Structures of Pentaamminenitrosylruthenium Trichloride Hydrate and trans-Tetra-amminehydroxonitrosylruthenium Dichloride Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1974 (1974) 1600-1605
Space group: P n 21 a
Cell volume: 1158.08
Cell parameters: 11.864; 6.878; 14.192; 90; 90; 90;

COD ID: 4035409
CIF file	Formula: - C17 H20 N2 O4 - Comments: Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction. The Journal of organic chemistry 83(20) (2018) 12722-12733 Space group: P n 21 a Cell volume: 3190.04 Cell parameters: 13.6553; 20.2125; 11.5578; 90; 90; 90;

COD ID: 4036575

Formula: - C27 H26 O -
Comments: Zhang, Yu-Fei; Tian, Wan-Fa; Cao, Xiao-Ping; Kuck, Dietmar; Chow, Hak-Fun o-Quinones Derived from Tribenzotriquinacenes: Functionalization of Inner Bay Positions and Use for Single-Wing Extensions. The Journal of organic chemistry 81(6) (2016) 2308-2319
Space group: P n 21 a
Cell volume: 1990.32
Cell parameters: 20.9274; 15.0038; 6.3388; 90; 90; 90;

COD ID: 4078113

Formula: - C31 H16 O9 W3 -
Comments: Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn Organometallics 31(8) (2012) 3300
Space group: P n 21 a
Cell volume: 2910.2
Cell parameters: 29.188; 10.387; 9.599; 90; 90; 90;

COD ID: 4079977
CIF file	Formula: - C18 H18 Cl F3 O2 Ru S - Comments: Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation Organometallics 32(2) (2013) 609 Space group: P n 21 a Cell volume: 1860.46 Cell parameters: 8.0583; 14.1389; 16.3291; 90; 90; 90;

COD ID: 4082364

Formula: - C24 H29 Cl F6 Ir P S2 -
Comments: Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K. (η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation Organometallics 33(4) (2014) 983
Space group: P n 21 a
Cell volume: 2691.9
Cell parameters: 13.7555; 13.7861; 14.1954; 90; 90; 90;

COD ID: 4087316
CIF file	Formula: - C20 H39 Cr F6 N3 P Sb - Comments: Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L. Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement Organometallics 36(7) (2017) 1227 Space group: P n 21 a Cell volume: 2766.4 Cell parameters: 9.733; 10.254; 27.719; 90; 90; 90;

COD ID: 4088701

Formula: - C35 H45 B F4 P Rh -
Comments: Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes Organometallics 35(17) (2016) 2793
Space group: P n 21 a
Cell volume: 6510.06
Cell parameters: 21.4176; 33.1623; 9.16578; 90; 90; 90;

COD ID: 4089221

Formula: - C41 H31 Cl3 Ir N3 O2 -
Comments: Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications Organometallics 36(7) (2017) 1331
Space group: P n 21 a
Cell volume: 3482.6
Cell parameters: 15.5975; 12.4727; 17.9014; 90; 90; 90;

COD ID: 4101640

Formula: - C53 H93 Co N5 O2 P3 Zr -
Comments: Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M. Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co. Journal of the American Chemical Society 132(1) (2010) 44-45
Space group: P n 21 a
Cell volume: 11165
Cell parameters: 22.3571; 23.4069; 21.3354; 90; 90; 90;

COD ID: 4103386

Formula: - C32 N8 O15 V3 -
Comments: Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms Journal of the American Chemical Society 132 (2010) 15277-15285
Space group: P n 21 a
Cell volume: 4627.6
Cell parameters: 20.4563; 15.6609; 14.4447; 90; 90; 90;

COD ID: 4113384
CIF file	Formula: - C8 H14 O3 - Comments: Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell Journal of the American Chemical Society 125 (2003) 34-35 Space group: P n 21 a Cell volume: 851.6 Cell parameters: 21.185; 6.826; 5.889; 90; 90; 90;

COD ID: 4130607

Formula: - C18 H21 N O2 -
Comments: Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons. Journal of the American Chemical Society 138(41) (2016) 13561-13567
Space group: P n 21 a
Cell volume: 3093.85
Cell parameters: 19.4469; 9.7388; 16.3359; 90; 90; 90;

COD ID: 4311137
CIF file	Formula: - C10 H24 Br4 Cu N2 - Comments: Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4 Inorganic Chemistry 43 (2004) 3804-3811 Space group: P n 21 a Cell volume: 1836.6 Cell parameters: 12.09; 8.13; 18.685; 90; 90; 90;

COD ID: 4321033

Formula: - C9 H18 Se3 -
Comments: Raymond J. Batchelor; Frederick W. B. Einstein; Ian D. Gay; Jian-Hua Gu; Seema Mehta; B. Mario Pinto; Xue-Min Zhou Synthesis, Characterization, and Redox Behavior of New Selenium Coronands and of Copper(I) and Copper(II) Complexes of Selenium Coronands Inorganic Chemistry 39 (2000) 2558-2571
Space group: P n 21 a
Cell volume: 1198.8
Cell parameters: 14.943; 5.638; 14.229; 90; 90; 90;

COD ID: 4329709

Formula: - C9 H10 Cl N3 O2 Pt -
Comments: Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation Inorganic Chemistry 51 (2012) 7699-7710
Space group: P n 21 a
Cell volume: 1050.3
Cell parameters: 6.9452; 10.995; 13.7541; 90; 90; 90;

COD ID: 4335300
CIF file	Formula: - C47 H26 B F24 N2 O3 Re S - Comments: Rebeca Arévalo; Julio Pérez; Lucía Riera Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand Inorganic Chemistry 52 (2013) 6785-6787 Space group: P n 21 a Cell volume: 4999.9 Cell parameters: 16.4783; 18.237; 16.6378; 90; 90; 90;

COD ID: 4339715

Formula: - C20 H25 N5 Ni O7 -
Comments: Paital, Alok Ranjan; Wong, Wing Tak; Aromí, Guillem; Ray, Debashis New [LNiII2]+ complexes incorporating 2-formyl or 2,6-diformyl-4-methyl phenol as inhibitors of the hydrolysis of the ligand L3-: Ni...Ni ferromagnetic coupling and S=2 ground states. Inorganic chemistry 46(14) (2007) 5727-5733
Space group: P n 21 a
Cell volume: 4523
Cell parameters: 13.571; 14.106; 23.625; 90; 90; 90;

COD ID: 4340712

Formula: - C11 H13 N3 O S4 -
Comments: Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex. Inorganic chemistry 53(16) (2014) 8755-8761
Space group: P n 21 a
Cell volume: 1491.5
Cell parameters: 7.2442; 8.6309; 23.855; 90; 90; 90;

COD ID: 4343779
CIF file	Formula: - F K O3 Xe - Comments: Hodgson, D.J.; Ibers, J.A. The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F Inorganic Chemistry 8 (1969) 326-331 Space group: P n 21 a Cell volume: 411.086 Cell parameters: 7.374; 6.811; 8.185; 90; 90; 90;

COD ID: 4349389

Formula: - B12 Cs H12 Na -
Comments: Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na2B12H12 in Close to Room Temperature Superionic Conductors. Inorganic chemistry 56(9) (2017) 5006-5016
Space group: P n 21 a
Cell volume: 1198.59
Cell parameters: 12.4432; 7.6628; 12.5705; 90; 90; 90;

COD ID: 4349392

Formula: - B12 Cs H12 Li -
Comments: Sadikin, Yolanda; Schouwink, Pascal; Brighi, Matteo; Łodziana, Zbigniew; Černý, Radovan Modified Anion Packing of Na2B12H12 in Close to Room Temperature Superionic Conductors. Inorganic chemistry 56(9) (2017) 5006-5016
Space group: P n 21 a
Cell volume: 1086.4
Cell parameters: 12.405; 7.237; 12.101; 90; 90; 90;

COD ID: 4501787
CIF file	Formula: - C8 H12 Cl N5 O3 - Comments: Kumar, Jitendra; Awasthi, Shubhra; Verma, Sandeep Contrasting Crystallographic Signatures of 9-Carboxypropyl Adeninium Cation: Adenine Dimerization vs Carboxylic Group Interaction Crystal Growth & Design 10(8) (2010) 3555 Space group: P n 21 a Cell volume: 2311.2 Cell parameters: 28.697; 15.767; 5.108; 90; 90; 90;

COD ID: 4510640
CIF file	Formula: - C16 H10 Ba2 O10 - Comments: Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands Crystal Growth & Design 13(7) (2013) 2965 Space group: P n 21 a Cell volume: 1675.2 Cell parameters: 7.0587; 12.432; 19.09; 90; 90; 90;

COD ID: 7002885

Formula: - C7 H4 Eu O5 P -
Comments: Rueff, Jean-Michel; Barrier, Nicolas; Boudin, Sophie; Dorcet, Vincent; Caignaert, Vincent; Boullay, Philippe; Hix, Gary B.; Jaffrès, Paul-Alain Remarkable thermal stability of Eu(4-phosphonobenzoate): structure investigations and luminescence properties Dalton Transactions (issue 47) (2009) 10614-10620
Space group: P n 21 a
Cell volume: 786.38
Cell parameters: 20.3995; 7.06565; 5.45584; 90; 90; 90;

COD ID: 7030806
CIF file	Formula: - C24 H68 N4 O76 Si36 - Comments: Marler, B.; Wang, Y.; Song, J.; Gies, H. Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates. Dalton transactions (Cambridge, England : 2003) 43(27) (2014) 10396-10416 Space group: P n 21 a Cell volume: 2305.3 Cell parameters: 22.239; 14.025; 7.391; 90; 90; 90;

COD ID: 7030808
CIF file	Formula: - C24 H68 N4 O76 Si36 - Comments: Marler, B.; Wang, Y.; Song, J.; Gies, H. Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates. Dalton transactions (Cambridge, England : 2003) 43(27) (2014) 10396-10416 Space group: P n 21 a Cell volume: 2303 Cell parameters: 22.281; 14; 7.383; 90; 90; 90;

COD ID: 7035015

Formula: - C18 H14 Mn N4 O9 -
Comments: Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling. Dalton transactions (Cambridge, England : 2003) 44(21) (2015) 9795-9804
Space group: P n 21 a
Cell volume: 2006
Cell parameters: 8.889; 7.407; 30.467; 90; 90; 90;

COD ID: 7038409

Formula: - C29 H29 N2 O2 Pt -
Comments: Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T. Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital. Dalton transactions (Cambridge, England : 2003) 45(16) (2016) 6834-6838
Space group: P n 21 a
Cell volume: 2315.68
Cell parameters: 9.3473; 12.3349; 20.0843; 90; 90; 90;

COD ID: 7046591

Formula: - C37 H19 F18 N2 O8 V Y -
Comments: Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H. The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10692-10701
Space group: P n 21 a
Cell volume: 4113.3
Cell parameters: 14.0879; 14.8963; 19.6006; 90; 90; 90;

COD ID: 7047642

Formula: - C26 H20 B N O4 -
Comments: Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates. Dalton transactions (Cambridge, England : 2003) 47(42) (2018) 15002-15008
Space group: P n 21 a
Cell volume: 2137.2
Cell parameters: 14.1106; 9.7939; 15.4646; 90; 90; 90;

COD ID: 7048919

Formula: - C8 H11 Eu O11 S -
Comments: Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes. Dalton transactions (Cambridge, England : 2003) 48(10) (2019) 3453-3458
Space group: P n 21 a
Cell volume: 1225.5
Cell parameters: 7.1753; 10.353; 16.497; 90; 90; 90;

COD ID: 7050469
CIF file	Formula: - C8 H8 Ag2 B2 F8 N6 O - Comments: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine New Journal of Chemistry 27(3) (2003) 483 Space group: P n 21 a Cell volume: 2389.3 Cell parameters: 10.451; 9.45; 24.193; 90; 90; 90;

COD ID: 7053036

Formula: - C16 H14 S12 -
Comments: Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation New Journal of Chemistry 37(4) (2013) 992
Space group: P n 21 a
Cell volume: 2314.8
Cell parameters: 15.341; 29.058; 5.1928; 90; 90; 90;

COD ID: 7055162
CIF file	Formula: - C86 H89 N3 O12 S8 - Comments: Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P. Arylation of thiacalix[4]arenes using organomercurial intermediates New J. Chem. 40(2) (2016) 1104 Space group: P n 21 a Cell volume: 8350.5 Cell parameters: 19.0018; 46.9211; 9.3659; 90; 90; 90;

COD ID: 7055414
CIF file	Formula: - C17 H16 N2 O - Comments: Palakollu, Veerabhadraiah; Vasu, Anuji K.; Thiruvenkatam, Vijay; Kanvah, Sriram A sensitive AIEE probe for amphiphilic compounds New J. Chem. 40(5) (2016) 4588 Space group: P n 21 a Cell volume: 2807.5 Cell parameters: 16.979; 10.3445; 15.9847; 90; 90; 90;

COD ID: 7057091

Formula: - C36 H37 Cl2 Mo N6 P S4 -
Comments: Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer New Journal of Chemistry 42(7) (2018) 5580
Space group: P n 21 a
Cell volume: 3972.2
Cell parameters: 13.3765; 15.2044; 19.531; 90; 90; 90;

COD ID: 7057351
CIF file	Formula: - C14 H6 F4 I2 N2 - Comments: Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering New Journal of Chemistry 42(13) (2018) 10584 Space group: P n 21 a Cell volume: 1542.79 Cell parameters: 15.1562; 7.1136; 14.3096; 90; 90; 90;

COD ID: 7103977
CIF file	Formula: - H2 I2 O9 Pu - Comments: Chemical communications (Cambridge, England) (2003) Space group: P n 21 a Cell volume: 806.8 Cell parameters: 7.3199; 9.4725; 11.636; 90; 90; 90;

COD ID: 7104565

Formula: - C35 H35 Ir N4 -
Comments: Liu, Yu; Ye, Kaiqi; Fan, Yan; Song, Weifeng; Wang, Yue; Hou, Zhaomin Amidinate-ligated iridium(III) bis(2-pyridyl)phenyl complex as an excellent phosphorescent material for electroluminescence devices. Chemical communications (Cambridge, England) 34(25) (2009) 3699-3701
Space group: P n 21 a
Cell volume: 3086.1
Cell parameters: 11.357; 8.6176; 31.532; 90; 90; 90;

COD ID: 7109064
CIF file	Formula: - C31 H29 Br Cl2 N2 O2 - Comments: Dattatraya H. Dethe; Raghavender Boda; Saikat Das Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid Chem.Commun. 49 (2013) 3260 Space group: P n 21 a Cell volume: 5565 Cell parameters: 11.149; 19.6; 25.468; 90; 90; 90;

COD ID: 7115813
CIF file	Formula: - C13 H16 N4 O - Comments: Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels Chem.Commun. 50 (2014) 12851 Space group: P n 21 a Cell volume: 1221.36 Cell parameters: 9.252; 10.1218; 13.0422; 90; 90; 90;

COD ID: 7117492

Formula: - C44 I N2 O14 Rh5 -
Comments: Martinengo, S.; Ciani, G.; Sironi, A. Synthesis and X-Ray Crystal Structure of the (Rh5 (C O)8 (Mue-C O)6 I)(2-) Anion Containing A Trigonal Bipyramidal Rhodium Cluster Journal of the Chemical Society. Chemical Communications (1972-) 1979 (1979) 1059-1061
Space group: P n 21 a
Cell volume: 6048.15
Cell parameters: 27.767; 18.652; 11.678; 90; 90; 90;

COD ID: 7120393

Formula: - C2 H4 N2 O2 -
Comments: Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument Journal of the Chemical Society, Chemical Communications (issue 14) (1992) 1012-1013
Space group: P n 21 a
Cell volume: 373.991
Cell parameters: 16.8156; 6.0608; 3.6696; 90; 90; 90;

COD ID: 7150721

Formula: - C30 H35 F2 N O3 -
Comments: Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates Organic & Biomolecular Chemistry 7(19) (2009) 3947-3957
Space group: P n 21 a
Cell volume: 5542.6
Cell parameters: 15.0801; 18.6531; 19.704; 90; 90; 90;

COD ID: 7152066

Formula: - C18 H17 N O4 -
Comments: Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine. Organic & biomolecular chemistry 9(22) (2011) 7643-7646
Space group: P n 21 a
Cell volume: 1491.77
Cell parameters: 11.3081; 6.5772; 20.0573; 90; 90; 90;

COD ID: 7154627
CIF file	Formula: - C14 H10 Br2 O3 - Comments: Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols. Organic & biomolecular chemistry 13(37) (2015) 9686-9696 Space group: P n 21 a Cell volume: 1354 Cell parameters: 7.871; 11.094; 15.506; 90; 90; 90;

COD ID: 7202889

Formula: - C144 H38 N4 S8 -
Comments: Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N. Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2 Journal of Materials Chemistry 17(39) (2007) 4171
Space group: P n 21 a
Cell volume: 8422
Cell parameters: 17.505; 19.432; 24.759; 90; 90; 90;

COD ID: 7202890

Formula: - C144 H38 N4 S8 -
Comments: Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N. Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2 Journal of Materials Chemistry 17(39) (2007) 4171
Space group: P n 21 a
Cell volume: 8125.3
Cell parameters: 17.218; 19.362; 24.373; 90; 90; 90;

COD ID: 7215662

Formula: - C4 H9 N3 O2 -
Comments: Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J. Structure and stability of two polymorphs of creatine and its monohydrate CrystEngComm 16(35) (2014) 8197
Space group: P n 21 a
Cell volume: 608.144
Cell parameters: 11.945; 9.5273; 5.3438; 90; 90; 90;

COD ID: 7223914
CIF file	Formula: - C15 H10 O7 - Comments: Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm (2016) Space group: P n 21 a Cell volume: 1721.6 Cell parameters: 14.7998; 11.2379; 10.3512; 90; 90; 90;

COD ID: 7225768
CIF file	Formula: - C12 H11 N3 O3 - Comments: Wu, Fu-song; Tong, Wei; Liang, Ying; Wang, Hengshan; Teng, Qing-hu; Pan, Ying-ming Cu(I)-Catalyzed Multicomponent Cascade Reactions of Terminal Alkynes, Unactivated Primary Alkyl Bromides, CO2 and NaN3 RSC Adv. (2016) Space group: P n 21 a Cell volume: 1136.7 Cell parameters: 7.355; 10.208; 15.14; 90; 90; 90;

COD ID: 7227239
CIF file	Formula: - C26 H26 Fe N8 O3 - Comments: Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P. Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand RSC Adv. (2016) Space group: P n 21 a Cell volume: 2610.8 Cell parameters: 16.979; 15.13; 10.163; 90; 90; 90;

COD ID: 7227550
CIF file	Formula: - C49 H78 O23.9 - Comments: Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii RSC Adv. 7(14) (2017) 8512 Space group: P n 21 a Cell volume: 5503.6 Cell parameters: 14.3231; 23.3774; 16.4367; 90; 90; 90;

COD ID: 7227610

Formula: - As0.5 K O5 P0.5 Ti -
Comments: Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A. Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4 Journal of Materials Chemistry 2 (1992) 383-386
Space group: P n 21 a
Cell volume: 900.23
Cell parameters: 12.9695; 10.6898; 6.4932; 90; 90; 90;

COD ID: 7227625

Formula: - K0.5 O5 P Rb0.5 Sn -
Comments: Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry 2 (1992) 785-792
Space group: P n 21 a
Cell volume: 929.67
Cell parameters: 13.2382; 10.7083; 6.5581; 90; 90; 90;

COD ID: 7227626

Formula: - K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -
Comments: Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry 2 (1992) 785-792
Space group: P n 21 a
Cell volume: 875.72
Cell parameters: 12.8826; 10.6384; 6.3898; 90; 90; 90;

COD ID: 7227627

Formula: - Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -
Comments: Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry 2 (1992) 785-792
Space group: P n 21 a
Cell volume: 915.97
Cell parameters: 13.1435; 10.6433; 6.5478; 90; 90; 90;

COD ID: 7227628

Formula: - K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -
Comments: Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry 2 (1992) 785-792
Space group: P n 21 a
Cell volume: 900.77
Cell parameters: 13.044; 10.6304; 6.4961; 90; 90; 90;

COD ID: 7228731
CIF file	Formula: - C15 H13 N O5 - Comments: De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido Supramolecular Synthons in the Gamma-Hydroxybutenolides CrystEngComm (2017) Space group: P n 21 a Cell volume: 1327.6 Cell parameters: 10.278; 10.413; 12.405; 90; 90; 90;

COD ID: 7235725

Formula: - C19 H21 F5 N2 O S -
Comments: Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides RSC Advances 5(9) (2015) 6864
Space group: P n 21 a
Cell volume: 1988.1
Cell parameters: 9.2994; 12.5496; 17.0351; 90; 90; 90;

COD ID: 7236478
CIF file	Formula: - C35 H73 Cl2 N7 O18 - Comments: Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua A supra-molecular switchable dielectric material with non-linear optical properties Journal of Materials Chemistry C 5(11) (2017) 2865 Space group: P n 21 a Cell volume: 4913.67 Cell parameters: 31.3826; 14.5065; 10.7933; 90; 90; 90;

COD ID: 7239932

Formula: - C25 H22 N4 -
Comments: Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system RSC Advances 10(11) (2020) 6576-6583
Space group: P n 21 a
Cell volume: 1948.97
Cell parameters: 11.7806; 14.4288; 11.4659; 90; 90; 90;

COD ID: 7239936

Formula: - C24 H21 N5 -
Comments: Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system RSC Advances 10(11) (2020) 6576-6583
Space group: P n 21 a
Cell volume: 1909.2
Cell parameters: 19.9809; 17.0776; 5.5951; 90; 90; 90;

COD ID: 7242489
CIF file	Formula: - C20 H22 O - Comments: Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene RSC Advances 11(19) (2021) 11529-11535 Space group: P n 21 a Cell volume: 1520.8 Cell parameters: 10.6474; 5.8091; 24.587; 90; 90; 90;

COD ID: 7244997

Formula: - C16 H18 N4 O4 -
Comments: Branković, Jovica; Milovanović, Vesna M.; Simijonović, Dušica; Novaković, Slađana; Petrović, Zorica D.; Trifunović, Snežana S.; Bogdanović, Goran A.; Petrović, Vladimir P. Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2 RSC Advances 12(25) (2022) 16054-16070
Space group: P n 21 a
Cell volume: 1625.34
Cell parameters: 14.9633; 12.6206; 8.6067; 90; 90; 90;

COD ID: 7702188

Formula: - C42 H48 Au Cl P2 -
Comments: Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands. Dalton transactions (Cambridge, England : 2003) 47(25) (2018) 8229-8239
Space group: P n 21 a
Cell volume: 3762.9
Cell parameters: 20.5328; 19.579; 9.3602; 90; 90; 90;

COD ID: 7702341
CIF file	Formula: - C18 H38 Gd N11 O13 - Comments: Bligh, S. W. Annie; Drew, Michael G. B.; Martin, Noreen; Maubert, Beatrice; Nelson, Jane A gadolinium cryptate with two coordinated water molecules Journal of the Chemical Society, Dalton Transactions (issue 22) (1998) 3711 Space group: P n 21 a Cell volume: 3060 Cell parameters: 15.798; 14.1; 13.736; 90; 90; 90;

COD ID: 7711282
CIF file	Formula: - C36 H56 K2 O2 Pb Si2 - Comments: Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K Dalton Transactions (2022) Space group: P n 21 a Cell volume: 4081.11 Cell parameters: 13.9365; 19.0723; 15.354; 90; 90; 90;

COD ID: 9001046
CIF file	Formula: - Ca2 F K3 O12 S3 - Comments: Fayos, J.; Watkin, D. J.; Perez-Mendez M Crystal structure of the apatite-like compound K3Ca2(SO4)3F American Mineralogist 72 (1987) 209-212 Space group: P n 21 a Cell volume: 1284.75 Cell parameters: 13.415; 10.493; 9.127; 90; 90; 90;

COD ID: 9001110
CIF file	Formula: - Ca O30 U6 - Comments: Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M. Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite American Mineralogist 72 (1987) 1230-1238 Space group: P n 21 a Cell volume: 2556.23 Cell parameters: 13.8378; 12.3781; 14.9238; 90; 90; 90;

COD ID: 9002700
CIF file	Formula: - Ca H22 O30 U6 - Comments: Burns, P. C.; Li, Y. The structures of becquerelite and Sr-exchanged becquerelite American Mineralogist 87 (2002) 550-557 Space group: P n 21 a Cell volume: 2563.06 Cell parameters: 13.8527; 12.3929; 14.9297; 90; 90; 90;

COD ID: 9008385
CIF file	Formula: - Ag Pb S6 Sb3 - Comments: Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M. The crystal structure of senandorite (andorite VI): PbAgSb3S6 Zeitschrift fur Kristallographie 180 (1987) 141-150 Space group: P n 21 a Cell volume: 6382.71 Cell parameters: 13.005; 19.155; 25.62199; 90; 90; 90;

COD ID: 9011347
CIF file	Formula: - Ca Na O4 P - Comments: Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P. Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic Acta Crystallographica, Section C 39 (1983) 1483-1485 Space group: P n 21 a Cell volume: 1011.27 Cell parameters: 20.397; 5.412; 9.161; 90; 90; 90;

COD ID: 9012087
CIF file	Formula: - Ca H22 O30 U6 - Comments: Piret-Meunier J; Piret, P. Nouvelle determination de la structure cristalline de la bequerelite Bulletin de Mineralogie 105 (1982) 606-610 Space group: P n 21 a Cell volume: 2543.53 Cell parameters: 13.86; 12.3; 14.92; 90; 90; 90;

COD ID: 9014081
CIF file	Formula: - Ba Be2 O7 Si2 - Comments: Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V. Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD Soviet Physics Crystallography 9 (1965) 691-699 Space group: P n 21 a Cell volume: 499.058 Cell parameters: 9.79; 11.01; 4.63; 90; 90; 90;

COD ID: 9017196