Search results

Formula: - C46 H74 B2 Ga3 I3 N14 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P b a 2
Cell volume: 3378.7
Cell parameters: 14.953; 20.106; 11.2381; 90; 90; 90;

COD ID: 1517296

Formula: - C28 H30 N4 O6 Zn -
Comments: He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci. 5(12) (2014) 4755
Space group: P b a 2
Cell volume: 1361.25
Cell parameters: 11.2987; 14.6667; 8.2144; 90; 90; 90;

COD ID: 1518890

Formula: - Mo7.62 O29.23 V2.38 -
Comments: Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane The Journal of Physical Chemistry C 119(13) (2015) 7195
Space group: P b a 2
Cell volume: 2209.46
Cell parameters: 20.9864; 26.4023; 3.98755; 90; 90; 90;

COD ID: 1527628
CIF file	Formula: - Bi2.76 Nb17 O47 - Comments: Keve, E.T.; Skapski, A.C. Bi3 Nb17 O47: A potentially ferroelectric crystal structure of the tungsten bronze type Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1971 (1971) 1280-1286 Space group: P b a 2 Cell volume: 1823.12 Cell parameters: 12.516; 37.14; 3.922; 90; 90; 90;

COD ID: 1529369
CIF file HKL data	Formula: - Mo3 O12 Tb2 - Comments: V.V. Atuchin; A.S. Aleksandrovsky; O.D. Chimitova; A.S. Krylov; M.S. Molokeev; B.G. Bazarov; J.G. Bazarova; Zhiguo Xia Synthesis and spectroscopic properties of multiferroic b'-Tb2(MoO4)3 Optical Materials 36(10) (2014) 1631-1635 Space group: P b a 2 Cell volume: 1145.79 Cell parameters: 10.353865; 10.384128; 10.656947; 90; 90; 90;

COD ID: 1529519

Formula: - Mo3 O12 Tb2 -
Comments: Abrahams, S.C.; Bernstein, J.L.; Svensson, C. Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature dependence from 298 K through the transition at 436 K to the antiferroelectric-paraelastic phase at 523 K Journal of Chemical Physics 72 (1980) 4278-4285
Space group: P b a 2
Cell volume: 1146.41
Cell parameters: 10.3656; 10.3876; 10.6471; 90; 90; 90;

COD ID: 1530371
CIF file	Formula: - Ba3.75 O54 Pr9.5 Ti18 - Comments: Matveeva, R.G.; Ilyushchenko, L.S.; Varfolomeev, M.B. Refinement of the composition and crystal structure of Ba3.75 Pr9.5 Ti18 O54 Zhurnal Neorganicheskoi Khimii 29 (1984) 31-34 Space group: P b a 2 Cell volume: 1043.71 Cell parameters: 22.36; 12.181; 3.832; 90; 90; 90;

COD ID: 1530485
CIF file	Formula: - Ca2 Ge7 O16 - Comments: Nevskii, N.N.; Ilyukhin, V.V.; Ivanova, L.I.; Belov, N.V. Crystal structure of calcium germanate Ca2 Ge2 (Ge O4) (Ge4 O12) Doklady Akademii Nauk SSSR 245 (1979) 110-113 Space group: P b a 2 Cell volume: 596.684 Cell parameters: 11.34; 11.34; 4.64; 90; 90; 90;

COD ID: 1531648
CIF file	Formula: - Gd2 Mo3 O12 - Comments: Keve, E.T.; Abrahams, S.C.; Bernstein, J.L. Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI Journal of Chemical Physics 54 (1971) 3185-3194 Space group: P b a 2 Cell volume: 1157.84 Cell parameters: 10.3858; 10.4186; 10.7004; 90; 90; 90;

COD ID: 1534297
CIF file	Formula: - Al6 Ca2.4 K1.1 Na4.5 O32 S2 Si6 - Comments: Bolotina, N.B.; Rastsvetaeva, R.K.; Sapozhnikov, A.N.; Kashaev, A.A. Twin orthorhombic structure of hauyne from Sakrogano (Italy) Kristallografiya 48 (2003) 981-985 Space group: P b a 2 Cell volume: 1508.1 Cell parameters: 12.872; 12.872; 9.102; 90; 90; 90;

COD ID: 1534376
CIF file	Formula: - Na13 Nb35 O94 - Comments: Craig, D.C.; Stephenson, N.C. The structure of the bronze Na13 Nb35 O94 and the geometry of ferroelectric domains Journal of Solid State Chemistry 3 (1971) 89-100 Space group: P b a 2 Cell volume: 1808.9 Cell parameters: 12.364; 36.992; 3.955; 90; 90; 90;

COD ID: 1540782
CIF file	Formula: - Mo15.39 O47 - Comments: Yamazoe, N.; Ekstroem, T.; Kihlborg, L. Structural effects of vanadium substitution in Mo17 O47 Acta Chemica Scandinavica, Series A: (28,1974-) 29 (1975) 404-408 Space group: P b a 2 Cell volume: 1676.8 Cell parameters: 21.615; 19.632; 3.9515; 90; 90; 90;

COD ID: 1541092
CIF file	Formula: - Cl10 Mo N2 P2 - Comments: Patt-Siebel, U.; Mueller, U.; Khabou, A.; Dehnicke, K. (Cl3 P N P Cl3) (Mo N Cl4), eine Verbindung mit strangartig assoziierten Anionen Zeitschrift fuer Anorganische und Allgemeine Chemie 569 (1989) 91-96 Space group: P b a 2 Cell volume: 758.73 Cell parameters: 15.9; 11.416; 4.18; 90; 90; 90;

COD ID: 1541269

Formula: - Cl10 Mo N O P2 -
Comments: Mueller, U.; Conradi, E.; Dehnicke, K.; Patt-Siebel, U.; Khabou, A.; Kersting, M.; Schmidt, I. Spektroskopische und kristallographische Charakterisierung von (Cl3 P N P Cl3) (Mo O Cl4) und die Kristallstruktur von (Cl3 P N P Cl3) (Mo Cl6) Zeitschrift fuer Anorganische und Allgemeine Chemie 560 (1988) 93-104
Space group: P b a 2
Cell volume: 757.181
Cell parameters: 15.984; 11.412; 4.151; 90; 90; 90;

COD ID: 1541705
CIF file	Formula: - K3 O14 Sb5 - Comments: Aurivillius, B. On the crystal structure of K3 Sb5 O14 Arkiv foer Kemi 25 (1966) 505-514 Space group: P b a 2 Cell volume: 1268.03 Cell parameters: 24.211; 7.153; 7.322; 90; 90; 90;

COD ID: 1543557

Formula: - C88 H106 N8 O37 Zn2 -
Comments: Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates Inorganica Chimica Acta 409B (2014) 195-201
Space group: P b a 2
Cell volume: 4981.4
Cell parameters: 18.228; 18.281; 14.9489; 90; 90; 90;

COD ID: 1545751
CIF file	Formula: - C67 H80 N2 O10 - Comments: li, zhengtao; Xing, Hao; Shi, Bingbing Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions Polym. Chem. (2017) Space group: P b a 2 Cell volume: 12102.5 Cell parameters: 25.3293; 20.1695; 23.6895; 90; 90; 90;

COD ID: 1555956
CIF file	Formula: - C21 H16 O - Comments: Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion. Organic letters 18(24) (2016) 6324-6327 Space group: P b a 2 Cell volume: 2870.45 Cell parameters: 18.9446; 24.3426; 6.2244; 90; 90; 90;

COD ID: 1556573

Formula: - C21 H21 Br O6 -
Comments: Wang, Weihong; Park, Chanyoon; Oh, Eunseok; Sung, Youjung; Lee, Jusung; Park, Kyu-Hyung; Kang, Heonjoong Benzophenone Compounds, from a Marine-Derived Strain of the Fungus Pestalotiopsis neglecta, Inhibit Proliferation of Pancreatic Cancer Cells by Targeting the MEK/ERK Pathway. Journal of natural products 82(12) (2019) 3357-3365
Space group: P b a 2
Cell volume: 2019.39
Cell parameters: 15.4343; 16.0851; 8.1341; 90; 90; 90;

COD ID: 1557599
CIF file	Formula: - C9 H10 N4 O3 Zn2 - Comments: Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? Faraday discussions 225 (2021) 118-132 Space group: P b a 2 Cell volume: 599.95 Cell parameters: 10.51; 12.234; 4.666; 90; 90; 90;

COD ID: 1562916
CIF file	Formula: - Ba2 F5 O8 Si2 Y3 - Comments: McMillen, Colin D.; Emirdag-Eanes, Mehtap; Stritzinger, Jared T.; Kolis, Joseph W. Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials Journal of Solid State Chemistry 195 (2012) 155-160 Space group: P b a 2 Cell volume: 576.7 Cell parameters: 8.8864; 12.764; 5.0843; 90; 90; 90;

COD ID: 1562959

Formula: - C6 H20 N O13 Pr S -
Comments: Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies Journal of Solid State Chemistry 192 (2012) 284-288
Space group: P b a 2
Cell volume: 1613.01
Cell parameters: 11.5754; 16.1852; 8.6096; 90; 90; 90;

COD ID: 1562960

Formula: - C6 H20 N Nd O13 S -
Comments: Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies Journal of Solid State Chemistry 192 (2012) 284-288
Space group: P b a 2
Cell volume: 1599.52
Cell parameters: 11.5413; 16.1248; 8.5949; 90; 90; 90;

COD ID: 2021032

Formula: - C34 H52 Cu N14 O14 S2 -
Comments: Li, Peng-Cheng; Zhang, Kou-Lin A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization Acta Crystallographica Section C 74(3) (2018)
Space group: P b a 2
Cell volume: 2346.6
Cell parameters: 13.711; 19.1598; 8.9327; 90; 90; 90;

COD ID: 2021759
CIF file Original IUCr paper	Formula: - C16 H14 O6 - Comments: Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin Acta Crystallographica, Section C 74(12) (2018) 1768-1773 Space group: P b a 2 Cell volume: 674.789 Cell parameters: 12.28767; 13.972; 3.93043; 90; 90; 90;

COD ID: 2101572
CIF file Original IUCr paper	Formula: - C H8 F6 N4 Zr - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 1399.5 Cell parameters: 10.089; 18.349; 7.56; 90; 90; 90;

COD ID: 2101573
CIF file Original IUCr paper	Formula: - Ba0.6 Bi K0.4 O2.3 - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 322.317 Cell parameters: 6.127; 12.016; 4.378; 90; 90; 90;

COD ID: 2101574
CIF file Original IUCr paper	Formula: - Cl10 Mo N O P2 - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 757.2 Cell parameters: 15.984; 11.412; 4.151; 90; 90; 90;

COD ID: 2205429

Formula: - C26 H32 O4 Sn -
Comments: Min Hong; Handong Yin; Daqi Wang Di-n-butyldicinnamatotin(IV) Acta Crystallographica Section E 61(4) (2005) m746-m747
Space group: P b a 2
Cell volume: 1288.4
Cell parameters: 9.833; 25.403; 5.1578; 90; 90; 90;

COD ID: 2212735

Formula: - C13 H16 N4 S2 -
Comments: Chen, Shi-Kun; Li, Lin; Tian, Lei; Wu, Jie-Ying 2,2'-(Methylenedithio)bis(4,6-dimethylpyrimidine) Acta Crystallographica Section E 63(3) (2007) o1126-o1127
Space group: P b a 2
Cell volume: 731.2
Cell parameters: 12.03; 13.905; 4.371; 90; 90; 90;

COD ID: 2212941

Formula: - C6 H3 I3 -
Comments: Novak, Igor 1,2,4-Triiodobenzene Acta Crystallographica Section E 63(4) (2007) o1542-o1543
Space group: P b a 2
Cell volume: 884.95
Cell parameters: 12.6534; 16.1729; 4.3244; 90; 90; 90;

COD ID: 2218423

Formula: - C19 H22 N2 O4 -
Comments: Dong, Wen-Kui; He, Xue-Ni; Zhong, Jin-Kui; Chen, Xiao; Yu, Tian-Zhi 2,2'-[1,1'-(Propane-1,3-diyldioxydinitrilo)diethylidyne]diphenol Acta Crystallographica Section E 64(6) (2008) o1098
Space group: P b a 2
Cell volume: 872.4
Cell parameters: 7.4595; 25.459; 4.5938; 90; 90; 90;

COD ID: 2224382

Formula: - C58 H42 Au2 Cl6 F10 P2 -
Comments: Strasser, Christoph E.; Coetzee, Karolien; Cronje, Stephanie; Raubenheimer, Helgard G. (m-Phenylenedimethylene)bis(triphenylphosphonium) bis[chlorido(pentafluorophenyl)aurate(I)] dichloromethane disolvate Acta Crystallographica Section E 65(12) (2009) m1499
Space group: P b a 2
Cell volume: 2865.1
Cell parameters: 14.506; 22.083; 8.9439; 90; 90; 90;

COD ID: 2230062

Formula: - C21 H23 Cl N2 O2 -
Comments: Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua rac-(1R,2S,6R,7R)-4-{[(1E)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione Acta Crystallographica Section E 67(5) (2011) o1251
Space group: P b a 2
Cell volume: 3814
Cell parameters: 18.505; 27.012; 7.63; 90; 90; 90;

COD ID: 2240542

Formula: - C22 H28 Br2 O2 -
Comments: Obata, Rika; Ohba, Shigeru; Einaga, Yasuaki; Nishiyama, Shigeru Crystal structure of 5,5'-dibromo-3,3'-di-tert-butyl-6,6'-dimethylbiphenyl-2,2'-diol Acta Crystallographica Section E 71(5) (2015) o278-o279
Space group: P b a 2
Cell volume: 1092.91
Cell parameters: 7.368; 22.4243; 6.6148; 90; 90; 90;

COD ID: 4002088

Formula: - Eu2 Mo3 O12 -
Comments: Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors Chemistry of Materials 26(24) (2014) 7124
Space group: P b a 2
Cell volume: 1167.83
Cell parameters: 10.41525; 10.44871; 10.73114; 90; 90; 90;

COD ID: 4026786
CIF file	Formula: - C29 H19 B Br4 F2 N2 S2 - Comments: Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes Journal of Organic Chemistry 76 (2011) 9988-9996 Space group: P b a 2 Cell volume: 3025 Cell parameters: 19.356; 27.471; 5.689; 90; 90; 90;

COD ID: 4030824

Formula: - Ba Na0.5 Nb2.5 O7.5 -
Comments: Foulon, G.; Ferriol, M.; Brenier, A.; Boulon, G.; Lecocq, S. Obtention of good quality B2NaNb3O15 crystals: growth, characterization and structure of Nd3+ -doped single-crystal fibres European Journal of Solid State and Inorganic Chemistry 33 (1996) 673-686
Space group: P b a 2
Cell volume: 616.9
Cell parameters: 12.425; 12.484; 3.977; 90; 90; 90;

COD ID: 4083947

Formula: - C28 H92 B40 Si5 -
Comments: Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds Organometallics 24(26) (2005) 6351
Space group: P b a 2
Cell volume: 3141.14
Cell parameters: 13.9813; 17.6592; 12.7224; 90; 90; 90;

COD ID: 4102004
CIF file	Formula: - C22 H20 F N O4 S2 - Comments: Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes Journal of the American Chemical Society 132 (2010) 2856-2857 Space group: P b a 2 Cell volume: 2048.5 Cell parameters: 13.417; 17.6111; 8.6693; 90; 90; 90;

COD ID: 4107297
CIF file	Formula: - C117 H168.5 N23.5 O27 - Comments: Naoki Ousaka; Tomohiro Sato; Reiko Kuroda Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense Journal of the American Chemical Society 130 (2008) 463-465 Space group: P b a 2 Cell volume: 12449.7 Cell parameters: 24.3532; 29.3664; 17.4082; 90; 90; 90;

COD ID: 4107728

Formula: - C48 H128 Cl8 N28 Ni4 O54 -
Comments: Ryosuke Miyake; Shohei Tashiro; Motoo Shiro; Kentaro Tanaka; Mitsuhiko Shionoya Ni(II)-Mediated Self-Assembly of Artificial β-Dipeptides Forming a Macrocyclic Tetranuclear Complex with Interior Spaces for In-Line Molecular Arrangement Journal of the American Chemical Society 130 (2008) 5646-5647
Space group: P b a 2
Cell volume: 4803.4
Cell parameters: 21.57; 22.1013; 10.0759; 90; 90; 90;

COD ID: 4110334

Formula: - C16 H16 O4 S4 -
Comments: Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure Journal of the American Chemical Society 128 (2006) 291-304
Space group: P b a 2
Cell volume: 884.91
Cell parameters: 13.5485; 14.9235; 4.3766; 90; 90; 90;

COD ID: 4120934

Formula: - C26 H20 N2 O10.5 Tb -
Comments: Xingtang Rao; Tao Song; Junkuo Gao; Yuanjing Cui; Yu Yang; Chuande Wu; Banglin Chen; Guodong Qian A Highly Sensitive Mixed Lanthanide Metal-Organic Framework Self-Calibrated Luminescent Thermometer Journal of the American Chemical Society 135 (2013) 15559-15564
Space group: P b a 2
Cell volume: 2345.01
Cell parameters: 31.8047; 7.4805; 9.8565; 90; 90; 90;

COD ID: 4130527

Formula: - C64 H84 Bi12 K3 N9 O18 U -
Comments: Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages. Journal of the American Chemical Society 138(29) (2016) 9033-9036
Space group: P b a 2
Cell volume: 20871.8
Cell parameters: 31.7268; 39.3976; 16.698; 90; 90; 90;

COD ID: 4301712
CIF file	Formula: - C163 H228 N8 O12 Sc4 - Comments: Christian Meermann; Karl W. Törnroos; Reiner Anwander Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands Inorganic Chemistry 48 (2009) 2561-2570 Space group: P b a 2 Cell volume: 7912.8 Cell parameters: 19.2322; 23.6954; 17.3634; 90; 90; 90;

COD ID: 4308461
CIF file	Formula: - C6 H6.33 Eu2 O13.16 - Comments: Christian Serre; Jérôme Marrot; Gérard Férey An Open-Framework Rare-Earth Acetylenedicarboxylate: MIL-95, EuIII2(H2O)2(CO3)2.{O2C-C2-CO2}.{H2O}x Inorganic Chemistry 44 (2005) 654-657 Space group: P b a 2 Cell volume: 658.94 Cell parameters: 7.6762; 17.8448; 4.8105; 90; 90; 90;

COD ID: 4311109
CIF file	Formula: - C108 H96 I6 O8 P6 Te - Comments: Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions Inorganic Chemistry 43 (2004) 3742-3750 Space group: P b a 2 Cell volume: 10411.8 Cell parameters: 18.4455; 32.3444; 17.4516; 90; 90; 90;

COD ID: 4313446

Formula: - H I K O10 U V -
Comments: Richard E. Sykora; Thomas E. Albrecht-Schmitt Self-Assembly of a Polar Open-Framework Uranyl Vanadyl Hexaoxoiodate(VII) Constructed Entirely from Distorted Octahedral Building Units in the First Uranium Hexaoxoiodate: K2[(UO2)2(VO)2(IO6)2O].H2O Inorganic Chemistry 42 (2003) 2179-2181
Space group: P b a 2
Cell volume: 833
Cell parameters: 9.984; 16.763; 4.9773; 90; 90; 90;

COD ID: 4320889
CIF file	Formula: - C14 H12 N2 O S - Comments: Tristram Chivers; Monica P. Gibson; Masood Parvez; Ignacio Vargas-Baca Eight- and 16-Membered Cyanuric-Sulfanuric Ring Systems: C2N4S2→C2N3S Ring Contraction Inorganic Chemistry 39 (2000) 1697-1704 Space group: P b a 2 Cell volume: 2553.9 Cell parameters: 22.657; 10.57; 10.664; 90; 90; 90;

COD ID: 4323857
CIF file	Formula: - C24 H32 Bi2 Cl6 Fe N2 O4 - Comments: Jeffrey R. Eveland; Kenton H. Whitmire; Jean-Yves Saillard Isolation of a Bismuth Chloride-Iron Carbonyl Adduct: Synthesis and Structural Characterization of [PhCH2NMe3]2[Bi2Cl4(μ-Cl)2{μ-Fe(CO)4}] Inorganic Chemistry 35 (1996) 4400-4405 Space group: P b a 2 Cell volume: 1794.1 Cell parameters: 14.562; 17.062; 7.221; 90; 90; 90;

COD ID: 4324293
CIF file	Formula: - O13 Re2 S2 - Comments: Ulf Betke; Mathias S. Wickleder Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2 Inorganic Chemistry 50 (2011) 858-872 Space group: P b a 2 Cell volume: 480.27 Cell parameters: 9.6485; 8.426; 5.9075; 90; 90; 90;

COD ID: 4326211
CIF file	Formula: - B6 Ca10 Ge16 O51 - Comments: Xiang Xu; Chun-Li Hu; Fan Kong; Jian-Han Zhang; Jiang-Gao Mao Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains Inorganic Chemistry 50 (2011) 8861-8868 Space group: P b a 2 Cell volume: 1877.1 Cell parameters: 15.119; 26.338; 4.714; 90; 90; 90;

COD ID: 4335712

Formula: - C163 H48 Ag3 B2 F8 N24 O32 -
Comments: Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers Inorganic Chemistry 52 (2013) 9309-9319
Space group: P b a 2
Cell volume: 7687.2
Cell parameters: 24.0892; 40.0165; 7.9746; 90; 90; 90;

COD ID: 4335715

Formula: - C120 H80 Ag3 B3 F12 N26 O26 -
Comments: Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers Inorganic Chemistry 52 (2013) 9309-9319
Space group: P b a 2
Cell volume: 7618.4
Cell parameters: 24.111; 39.9; 7.9191; 90; 90; 90;

COD ID: 4336353

Formula: - C48 H32 Co7 N4 O26 -
Comments: Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption Inorganic Chemistry 52 (2013) 11573-11579
Space group: P b a 2
Cell volume: 3627
Cell parameters: 13.848; 19.978; 13.111; 90; 90; 90;

COD ID: 4336354

Formula: - C48 H32 N4 Ni7 O26 -
Comments: Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption Inorganic Chemistry 52 (2013) 11573-11579
Space group: P b a 2
Cell volume: 3516.3
Cell parameters: 13.722; 19.73; 12.988; 90; 90; 90;

COD ID: 4507572
CIF file	Formula: - C14 H16 N2 O10 S - Comments: Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini 4-Aminosalicylic Acid Adducts Crystal Growth & Design 13(4) (2013) 1551 Space group: P b a 2 Cell volume: 1734 Cell parameters: 15.794; 19.897; 5.5179; 90; 90; 90;

COD ID: 4509555
CIF file	Formula: - B2 Bi2 O7 Zn - Comments: Li, Feng; Pan, Shilie; Hou, Xueling; Yao, Jun A Novel Nonlinear Optical Crystal Bi2ZnOB2O6 Crystal Growth & Design 9(9) (2009) 4091 Space group: P b a 2 Cell volume: 582.35 Cell parameters: 10.823; 11.016; 4.8844; 90; 90; 90;

COD ID: 4514981

Formula: - Mo7.66 O30.85 V2.82 -
Comments: Sadakane, Masahiro; Kodato, Katsunori; Yasuda, Nobuhiro; Ishikawa, Satoshi; Ueda, Wataru Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo-V Oxide under Nitrogen Flow or in Air. ACS omega 4(8) (2019) 13165-13171
Space group: P b a 2
Cell volume: 2228.38
Cell parameters: 21.0912; 26.5514; 3.97924; 90; 90; 90;

COD ID: 7003422
CIF file	Formula: - C28 H29 Al2 Cl8 P3 - Comments: Dillon, Keith B.; Goeta, Andrés E.; Howard, Judith A. K.; Monks, Philippa K.; Shepherd, Helena J.; Thompson, Amber L. Alkyl and aryl dicationic derivatives of cyclic triphosphenium ions Dalton Transactions (issue 9) (2008) 1144-1149 Space group: P b a 2 Cell volume: 7141.4 Cell parameters: 22.883; 31.806; 9.8121; 90; 90; 90;

COD ID: 7007418

Formula: - C25 H27 Cl2 Mo N4 O3.5 -
Comments: Hoffman, Justin T.; Tran, Ba L.; Carrano, Carl J. Oxidation-state and metal-ion dependent stereoisomerization in oxo molybdenum and tungsten complexes of a bulky alkoxy heteroscorpionate ligand. Dalton transactions (Cambridge, England : 2003) (issue 31) (2006) 3822-3830
Space group: P b a 2
Cell volume: 2677.4
Cell parameters: 9.5623; 29.6352; 9.4479; 90; 90; 90;

COD ID: 7007701

Formula: - C25 H35 Br Mn2 N2 O8 -
Comments: Moreno, Diego; Palopoli, Claudia; Daier, Verónica; Shova, Sergiu; Vendier, Laure; Sierra, Manuel González; Tuchagues, Jean-Pierre; Signorella, Sandra Synthesis, structure and catalase-like activity of dimanganese(III) complexes of 1,5-bis(X-salicylidenamino)pentan-3-ol (X = 3- and 5-methyl). Influence of phenyl-ring substituents on catalytic activity. Dalton transactions (Cambridge, England : 2003) (issue 43) (2006) 5156-5166
Space group: P b a 2
Cell volume: 5764
Cell parameters: 30.521; 24.201; 7.804; 90; 90; 90;

COD ID: 7016923

Formula: - C20 H22 Cl3 N2 Ni O7 Yb -
Comments: Yang, Xiaoping; Lam, Daniel; Chan, Christopher; Stanley, Julie M.; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok Construction of 1-D 4f and 3d-4f coordination polymers with flexible Schiff base ligands. Dalton transactions (Cambridge, England : 2003) 40(38) (2011) 9795-9801
Space group: P b a 2
Cell volume: 5070.6
Cell parameters: 16.493; 35.431; 8.6771; 90; 90; 90;

COD ID: 7017054

Formula: - C60 H126 Li7 N21 O Si6 Zn2 -
Comments: Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A. Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions. Dalton transactions (Cambridge, England : 2003) 40(41) (2011) 10918-10923
Space group: P b a 2
Cell volume: 8232.3
Cell parameters: 27.786; 24.423; 12.131; 90; 90; 90;

COD ID: 7028907

Formula: - C30 H32 N2 P2 -
Comments: Orthaber, Andreas; Karnahl, Michael; Tschierlei, Stefanie; Streich, Daniel; Stein, Matthias; Ott, Sascha Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site. Dalton transactions (Cambridge, England : 2003) 43(11) (2014) 4537-4549
Space group: P b a 2
Cell volume: 1286.09
Cell parameters: 9.3653; 26.2717; 5.2271; 90; 90; 90;

COD ID: 7038173
CIF file	Formula: - C14 H29 F6 O6 P3 S2 - Comments: Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert 2-Phosphino-1,3-diphosphonium ions. Dalton transactions (Cambridge, England : 2003) 45(5) (2016) 2124-2129 Space group: P b a 2 Cell volume: 2404.8 Cell parameters: 16.7757; 22.426; 6.3922; 90; 90; 90;

COD ID: 7050363
CIF file	Formula: - C16 H23 N O2 - Comments: J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde New J.Chem.(Nouv.J.Chim.) (2004) Space group: P b a 2 Cell volume: 1199.4 Cell parameters: 12.3728; 24.512; 3.9548; 90; 90; 90;

COD ID: 7053780
CIF file	Formula: - C25 H12 F4 S2 - Comments: Kobatake, Seiya; Imagawa, Hiroyuki; Nakatani, Hidenori; Nakashima, Seiichiro The irreversible thermo-bleaching function of a photochromic diarylethene having trimethylsilyl groups New Journal of Chemistry 33(6) (2009) 1362 Space group: P b a 2 Cell volume: 1893.3 Cell parameters: 19.245; 24.97; 3.9399; 90; 90; 90;

COD ID: 7054113

Formula: - Mo3 O12 Y2 -
Comments: Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7] New Journal of Chemistry 37(7) (2013) 1919
Space group: P b a 2
Cell volume: 1124.49
Cell parameters: 10.3021; 10.3241; 10.5725; 90; 90; 90;

COD ID: 7125674
CIF file	Formula: - C56 H41 B F20 N O P - Comments: Livshits-Kritsman, Yulia; Tumanskii, Boris; Ménard, Gabriel; Dobrovetsky, Roman Isolable cyclic (alkyl)(amino)carbene-phosphonyl radical adducts. Chemical communications (Cambridge, England) 56(9) (2020) 1341-1344 Space group: P b a 2 Cell volume: 9979.2 Cell parameters: 35.439; 35.468; 7.9392; 90; 90; 90;

COD ID: 7131118
CIF file	Formula: - C H6 I3 P Sn - Comments: Zhang, Han-Yue; Xiong, Ren-Gen Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application. Chemical communications (Cambridge, England) 59(7) (2023) 920-923 Space group: P b a 2 Cell volume: 996.92 Cell parameters: 12.5156; 12.546; 6.349; 90; 90; 90;

COD ID: 7131928

Formula: - C14 H20 B F3 N3 P -
Comments: Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts Chemical Communications (2023)
Space group: P b a 2
Cell volume: 3280.14
Cell parameters: 11.2355; 30.5407; 9.5592; 90; 90; 90;

COD ID: 7204933

Formula: - C24 H20 S4 Sn -
Comments: Barone, Giampaolo; Hibbert, Tom G.; Mahon, Mary F.; Molloy, Kieran C.; Price, Louise S.; Parkin, Ivan P.; Hardy, Amanda M. E.; Field, Mark N. Deposition of tin sulfide thin films from tin(iv) thiolate precursors Journal of Materials Chemistry 11(2) (2001) 464
Space group: P b a 2
Cell volume: 1226.6
Cell parameters: 17.192; 8.553; 8.342; 90; 90; 90;

COD ID: 7209412

Formula: - Au2 O7 Se2 -
Comments: Jones, P.G.; Sheldrick, G.M.; Vielmaeder, A.; Schwarzmann, E. Darstellung und Kristallstruktur von Di-gold(III)bis(selenit)oxid, Au2 (Se O3)2 O Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 38 (1983) 10-11
Space group: P b a 2
Cell volume: 311.962
Cell parameters: 6.592; 11.837; 3.998; 90; 90; 90;

COD ID: 7216479

Formula: - C68 H63 Cu6 N11 O17 -
Comments: Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents CrystEngComm 16(42) (2014) 9792
Space group: P b a 2
Cell volume: 7381
Cell parameters: 22.533; 23.066; 14.201; 90; 90; 90;

COD ID: 7233919

Formula: - C26 H28 Br2 Hg N4 O4 -
Comments: Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands CrystEngComm 21(41) (2019) 6301
Space group: P b a 2
Cell volume: 1344.84
Cell parameters: 8.9772; 31.7959; 4.7115; 90; 90; 90;

COD ID: 7233920

Formula: - C26 H28 Hg I2 N4 O4 -
Comments: Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O. Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands CrystEngComm 21(41) (2019) 6301
Space group: P b a 2
Cell volume: 1390.49
Cell parameters: 9.1791; 32.206; 4.7036; 90; 90; 90;

COD ID: 7235676

Formula: - C32 H32 Cd3 Cl6 N16 -
Comments: Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization RSC Advances 4(48) (2014) 25172
Space group: P b a 2
Cell volume: 2578.7
Cell parameters: 16.829; 21.25; 7.2108; 90; 90; 90;

COD ID: 7238109

Formula: - C22 H31 Cl2 Fe N10 O6.5 -
Comments: Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm 7(107) (2005) 642
Space group: P b a 2
Cell volume: 3144.8
Cell parameters: 16.199; 23.421; 8.289; 90; 90; 90;

COD ID: 7238111

Formula: - C22 H31 Cl2 N10 O6.5 Ru -
Comments: Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A. Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine CrystEngComm 7(107) (2005) 642
Space group: P b a 2
Cell volume: 3190.4
Cell parameters: 16.299; 23.473; 8.339; 90; 90; 90;

COD ID: 7715718

Formula: - C102 H156 Dy2 N12 O40 Zn2 -
Comments: Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael Francisco; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, A. A.; López-Ortega, Alberto; Rodríguez Diéguez, Antonio; Seco, José Manuel; Colacio, Enrique From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study Dalton Transactions (2024)
Space group: P b a 2
Cell volume: 5808.9
Cell parameters: 20.893; 22.743; 12.225; 90; 90; 90;

COD ID: 7715719