Search results

Formula: - C36 H18 B F18 N -
Comments: Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups Chem. Sci. 6(1) (2015) 308
Space group: I 41
Cell volume: 13909.5
Cell parameters: 23.5023; 23.5023; 25.182; 90; 90; 90;

COD ID: 1521519
CIF file	Formula: - Bi34.16 O67.68 W5.84 - Comments: Ling, C.D. Structural relationships among bismuth-rich phases in the (Bi2 O3)-(Nb2 O5), (Bi2 O3)-(Ta2 O5), (Bi2 O3-Mo O3), and (Bi2 O3)-(W O3) systems Journal of Solid State Chemistry 148 (1999) 380-405 Space group: I 41 Cell volume: 1756.24 Cell parameters: 12.49687; 12.49687; 11.24558; 90; 90; 90;

COD ID: 1524791
CIF file	Formula: - Ce2.76923 Ge4.30769 - Comments: Lambert-Andron, B.; Hippert, F.; Houssay, E.; Madar, R.; Pierre, J.; Auffret, S. Crystal structure and properties of tetragonal Ce Ge1.6 Journal of the Less-Common Metals 167 (1990) 53-63 Space group: I 41 Cell volume: 253.382 Cell parameters: 4.223; 4.223; 14.208; 90; 90; 90;

COD ID: 1525538
CIF file	Formula: - F0.666667 Fe2 Sr3 - Comments: von der Muehll, R. Structure cristalline de la phase Sr3 (Fe F6)2 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 278 (1974) 713-715 Space group: I 41 Cell volume: 6067.19 Cell parameters: 20.338; 20.338; 14.668; 90; 90; 90;

COD ID: 1527712
CIF file	Formula: - Ce3 Ge4.7 - Comments: Lambert-Andron, B.; Houssay, E.; Madar, R.; Hippert, F.; Pierre, J.; Auffret, S. Crystal structure and properties of tetragonal Ce Ge1.6 Journal of the Less-Common Metals 167 (1990) 53-63 Space group: I 41 Cell volume: 2280.44 Cell parameters: 12.669; 12.669; 14.208; 90; 90; 90;

COD ID: 1531949
CIF file	Formula: - Bi0.875 O1.688 W0.125 - Comments: Nespolo, M.; Watanabe, A.; Suetsugu, Y. Re-investigation of the structure of 7(Bi2 O3) * 2(W O3) by single-crystal X-ray diffraction Crystal Research and Technology 37 (2002) 414-422 Space group: I 41 Cell volume: 1758.5 Cell parameters: 12.513; 12.513; 11.231; 90; 90; 90;

COD ID: 1537320
CIF file	Formula: - As Nb - Comments: Furuseth, S.; Kjekshus, A. Arsenides and Antimonides of Niobium Nature (London) 203 (1964) 512-512 Space group: I 41 Cell volume: 139.158 Cell parameters: 3.4517; 3.4517; 11.68; 90; 90; 90;

COD ID: 1555541

Formula: - C20 H27 O3.5 -
Comments: Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus. Organic letters 18(9) (2016) 2166-2169
Space group: I 41
Cell volume: 3526.1
Cell parameters: 19.7536; 19.7536; 9.0366; 90; 90; 90;

COD ID: 1560716

Formula: - C8 H12 Cu2 N17 O4 -
Comments: Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships Journal of Solid State Chemistry 268 (2018) 55-61
Space group: I 41
Cell volume: 1837.3
Cell parameters: 11.85; 11.85; 13.084; 90; 90; 90;

COD ID: 1565225

Formula: - C60 H96 Cl2 Cu4 N4 O17 -
Comments: Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity Inorganica Chimica Acta 505 (2020) 119480
Space group: I 41
Cell volume: 14154
Cell parameters: 30.491; 30.491; 15.224; 90; 90; 90;

COD ID: 1567195

Formula: - C12 H6 N6 S Zn -
Comments: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science 13(27) (2022) 8036-8044
Space group: I 41
Cell volume: 3411.4
Cell parameters: 16.549; 16.549; 12.4563; 90; 90; 90;

COD ID: 1569850
CIF file Original IUCr paper	Formula: - C34 H42 N4 O8 - Comments: Stapf, Manuel; Schwarzer, Anke N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate IUCrData 8(9) (2023) Space group: I 41 Cell volume: 3253.4 Cell parameters: 13.632; 13.632; 17.507; 90; 90; 90;

COD ID: 1570769
CIF file	Formula: - C130 H148 Cl4 Cu4 N16 - Comments: Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G. Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy. Chemical science 15(7) (2024) 2380-2390 Space group: I 41 Cell volume: 5631.4 Cell parameters: 10.8836; 10.8836; 47.541; 90; 90; 90;

COD ID: 2012950

Formula: - C10 H16 N8 O3 -
Comments: Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J. 1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole Acta Crystallographica Section C 58(9) (2002) o565-o567
Space group: I 41
Cell volume: 1346.29
Cell parameters: 9.7451; 9.7451; 14.1764; 90; 90; 90;

COD ID: 2013047

Formula: - C13 H15 Cl N2 Pd -
Comments: Calmuschi, Beatrice; Englert, Ulli (R)-Di-μ-acetato-κ^2^O:O'-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}, (R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)} and [SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine-κN)palladium(II) Acta Crystallographica Section C 58(11) (2002) m545-m548
Space group: I 41
Cell volume: 5379
Cell parameters: 18.511; 18.511; 15.698; 90; 90; 90;

COD ID: 2020426

Formula: - C4 H8 Fe Na O12 -
Comments: Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine The new one-dimensional coordination polymer catena-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato] Acta Crystallographica Section C 72(3) (2016) 243-250
Space group: I 41
Cell volume: 1045.44
Cell parameters: 9.8572; 9.8572; 10.7595; 90; 90; 90;

COD ID: 2104157
CIF file Original IUCr paper	Formula: - C48 H72 O20 Si16 - Comments: Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R. Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate Acta Crystallographica Section B 64(3) (2008) 330-337 Space group: I 41 Cell volume: 7197 Cell parameters: 21.1698; 21.1698; 16.059; 90; 90; 90;

COD ID: 2104686

Formula: - Bi35.66 O66.51 W4.34 -
Comments: Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D. Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction Acta Crystallographica Section B 66(2) (2010) 165-172
Space group: I 41
Cell volume: 1777.83
Cell parameters: 12.5576; 12.5576; 11.274; 90; 90; 90;

COD ID: 2108297

Formula: - C15 H11 I N4 -
Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018)
Space group: I 41
Cell volume: 2905.41
Cell parameters: 15.0197; 15.0197; 12.8791; 90; 90; 90;

COD ID: 2204673

Formula: - C12 H10 Br2 Te -
Comments: Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra Dibromodiphenyltellurium(IV) Acta Crystallographica Section E 60(12) (2004) o2511-o2512
Space group: I 41
Cell volume: 1282.22
Cell parameters: 11.4345; 11.4345; 9.8068; 90; 90; 90;

COD ID: 2212337

Formula: - C28 H26 O2 -
Comments: Ricken, Stefan; Angelovski, Goran; Schürmann, Markus; Preut, Hans; Eilbracht, Peter (S)-(‒)-2,2'-Bis(2-methylallyloxy)-1,1'-binaphthyl Acta Crystallographica Section E 63(2) (2007) o551-o552
Space group: I 41
Cell volume: 2174.6
Cell parameters: 11.5777; 11.5777; 16.2234; 90; 90; 90;

COD ID: 2216290

Formula: - C19 H18 Cd N12 O3 -
Comments: Minna Cao; Bo Hu; Feihua Luo; Cuixia Cheng; Zongqiu Hu Tris(2,2'-bi-1H-imidazole)cadmium(II) carbonate Acta Crystallographica Section E 63(12) (2007) m2927-m2927
Space group: I 41
Cell volume: 2247
Cell parameters: 12.3477; 12.3477; 14.7379; 90; 90; 90;

COD ID: 2218468

Formula: - C5 H12 O4 -
Comments: Jenkinson, Sarah F.; Cruz, Filipa P.; Booth, Kathrine V.; Fleet, George W. J.; Izumori, Ken; Yu, Chu-Yi; Watkin, David J. 1-Deoxy-D-arabinitol Acta Crystallographica Section E 64(6) (2008) o1010-o1011
Space group: I 41
Cell volume: 1411.41
Cell parameters: 12.9873; 12.9873; 8.3679; 90; 90; 90;

COD ID: 2221628

Formula: - C26 H22 O2 -
Comments: Ge, Jia-Zhen; Li, Hui 2,2'-Bis(allyloxy)-1,1'-binaphthyl Acta Crystallographica Section E 65(5) (2009) o1179
Space group: I 41
Cell volume: 2002
Cell parameters: 11.7167; 11.7167; 14.583; 90; 90; 90;

COD ID: 2228225

Formula: - Ca4.175 Nd6.825 O24 Ru4 -
Comments: Sakakura, Terutoshi; Okada, Keita; Iguchi, Hironaga; Wang, Jun; Ishizawa, Nobuo (Ca~x~Nd~11-x~)Ru~4~O~24~ (x = 4.175) Acta Crystallographica Section E 66(12) (2010) i80
Space group: I 41
Cell volume: 2035.52
Cell parameters: 11.2426; 11.2426; 16.1043; 90; 90; 90;

COD ID: 2233011

Formula: - C24 H20 N2 O2 -
Comments: Zeng, Jing; Ng, Seik Weng rac-N,N'-Dimethyl-N,N'-(1,1'-binaphthyl-2,2'-diyl)diformamide Acta Crystallographica Section E 67(12) (2011) o3227
Space group: I 41
Cell volume: 1890.4
Cell parameters: 11.6548; 11.6548; 13.9171; 90; 90; 90;

COD ID: 4020282
CIF file	Formula: - C23 H22 Br4 Cl3 N4 O4.5 - Comments: Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood Journal of Organic Chemistry 70 (2005) 5055-5061 Space group: I 41 Cell volume: 5767.8 Cell parameters: 20.153; 20.153; 14.202; 90; 90; 90;

COD ID: 4022537
CIF file	Formula: - C30 H31 F3 O5 - Comments: Noa Seri; Samah Simaan; Mark Botoshansky; Menahem Kaftory; Silvio E. Biali A Conformationally Flexible Tetrahydroxycalix[4]arene Adopting the Unusual 1,3-Alternate Conformation Journal of Organic Chemistry 68 (2003) 7140-7142 Space group: I 41 Cell volume: 7021 Cell parameters: 20.437; 20.437; 16.81; 90; 90; 90;

COD ID: 4027099

Formula: - C26 H31 Br N2 O9 S -
Comments: Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles Journal of Organic Chemistry 77 (2012) 3589-3594
Space group: I 41
Cell volume: 5607
Cell parameters: 20.639; 20.639; 13.164; 90; 90; 90;

COD ID: 4034416
CIF file	Formula: - C24 H30 N2 O5 - Comments: Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G. Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift. The Journal of organic chemistry 84(15) (2019) 9671-9683 Space group: I 41 Cell volume: 4367.13 Cell parameters: 16.4812; 16.4812; 16.0775; 90; 90; 90;

COD ID: 4034417
CIF file	Formula: - C23 H28 N2 O5 - Comments: Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G. Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift. The Journal of organic chemistry 84(15) (2019) 9671-9683 Space group: I 41 Cell volume: 4246.33 Cell parameters: 16.4674; 16.4674; 15.659; 90; 90; 90;

COD ID: 4034418
CIF file	Formula: - C23 H28 N2 O6 - Comments: Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G. Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift. The Journal of organic chemistry 84(15) (2019) 9671-9683 Space group: I 41 Cell volume: 4298.12 Cell parameters: 16.3993; 16.3993; 15.9819; 90; 90; 90;

COD ID: 4060454

Formula: - C40 H72 Al2 N6 O7 Si4 -
Comments: Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J. Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate Organometallics 24(9) (2005) 2124-2128
Space group: I 41
Cell volume: 11091.2
Cell parameters: 14.498; 14.498; 52.767; 90; 90; 90;

COD ID: 4063564
CIF file	Formula: - C56 H47 Ir N4 O2 - Comments: Cheung, Chi Wai; Chan, Kin Shing Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds Organometallics 30(16) (2011) 4269 Space group: I 41 Cell volume: 9398.8 Cell parameters: 19.2067; 19.2067; 25.478; 90; 90; 90;

COD ID: 4067622
CIF file	Formula: - C27 H25 F6 N3 - Comments: Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M. (Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2” Organometallics 29(8) (2010) 1897 Space group: I 41 Cell volume: 2496.4 Cell parameters: 14.9916; 14.9916; 11.1077; 90; 90; 90;

COD ID: 4071578
CIF file	Formula: - C14 H17 I N2 Pt - Comments: Calmuschi-Cula, Beatrice; Englert, Ulli Orthoplatination of Primary Amines Organometallics 27(13) (2008) 3124 Space group: I 41 Cell volume: 5918.3 Cell parameters: 19.0287; 19.0287; 16.3448; 90; 90; 90;

COD ID: 4071579
CIF file	Formula: - C15 H19 I N2 Pt - Comments: Calmuschi-Cula, Beatrice; Englert, Ulli Orthoplatination of Primary Amines Organometallics 27(13) (2008) 3124 Space group: I 41 Cell volume: 6479 Cell parameters: 18.99; 18.99; 17.965; 90; 90; 90;

COD ID: 4071580
CIF file	Formula: - C14 H16 F I N2 Pt - Comments: Calmuschi-Cula, Beatrice; Englert, Ulli Orthoplatination of Primary Amines Organometallics 27(13) (2008) 3124 Space group: I 41 Cell volume: 6177.7 Cell parameters: 19.091; 19.091; 16.95; 90; 90; 90;

COD ID: 4074167
CIF file	Formula: - C64 H65 N4 O Rh Si - Comments: Zhang, Lirong; Chan, Kin Shing Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls Organometallics 25(20) (2006) 4822 Space group: I 41 Cell volume: 11964.2 Cell parameters: 28.4903; 28.4903; 14.7397; 90; 90; 90;

COD ID: 4079383

Formula: - C14 H28 I2 P2 Pt -
Comments: Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L. Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation Organometallics 31(19) (2012) 6900
Space group: I 41
Cell volume: 4155.9
Cell parameters: 19.7843; 19.7843; 10.6175; 90; 90; 90;

COD ID: 4101053
CIF file	Formula: - C21 H28 N2 O7 - Comments: Journal of the American Chemical Society (2006) Space group: I 41 Cell volume: 4666.43 Cell parameters: 17.5448; 17.5448; 15.1596; 90; 90; 90;

COD ID: 4104053

Formula: - C12 H12 N8 Zn2 -
Comments: Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study Journal of the American Chemical Society 131 (2009) 4022-4026
Space group: I 41
Cell volume: 6735.9
Cell parameters: 22.7482; 22.7482; 13.0168; 90; 90; 90;

COD ID: 4110757

Formula: - C117 H46 N Sc3 Si2 -
Comments: Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase Characterization of the Bis-Silylated Endofullerene Sc3N@C80 Journal of the American Chemical Society 128 (2006) 9919-9925
Space group: I 41
Cell volume: 6620.8
Cell parameters: 20.4678; 20.4678; 15.804; 90; 90; 90;

COD ID: 4115409

Formula: - C32 H42 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: I 41
Cell volume: 3175.6
Cell parameters: 14.573; 14.5731; 14.953; 90; 90; 90;

COD ID: 4117168

Formula: - C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2 -
Comments: Kazushi Mashima; Hiroshi Nakano; Akira Nakamura Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I) Journal of the American Chemical Society 118 (1996) 9083-9095
Space group: I 41
Cell volume: 7913
Cell parameters: 17.455; 17.4548; 25.971; 90; 90; 90;

COD ID: 4117170

Formula: - C72 H60 Cl10 Mo2 N4 O4 P4 Pt2 -
Comments: Kazushi Mashima; Hiroshi Nakano; Akira Nakamura Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I) Journal of the American Chemical Society 118 (1996) 9083-9095
Space group: I 41
Cell volume: 7816.9
Cell parameters: 17.407; 17.4071; 25.798; 90; 90; 90;

COD ID: 4117997
CIF file	Formula: - C11 H15 Cl O3 - Comments: Jinhua Huang; Jessica R. Yang; Jin Zhang; Jiong Yang Total Synthesis of the Potent cAMP Signaling Agonist (-)-Alotaketal A Journal of the American Chemical Society 134 (2012) 8806-8809 Space group: I 41 Cell volume: 2341.63 Cell parameters: 18.2294; 18.2294; 7.0465; 90; 90; 90;

COD ID: 4122677
CIF file	Formula: - C228 H84 O16 P4 - Comments: Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction. Journal of the American Chemical Society 136(40) (2014) 14299 Space group: I 41 Cell volume: 16051 Cell parameters: 31.285; 31.285; 16.399; 90; 90; 90;

COD ID: 4128173

Formula: - C50 H48.5 Cl4 Mn N9 O8 -
Comments: Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States. Journal of the American Chemical Society 141(6) (2019) 2604-2613
Space group: I 41
Cell volume: 20042.7
Cell parameters: 37.0495; 37.0495; 14.6013; 90; 90; 90;

COD ID: 4132543

Formula: - C178 H138 N8 O38 Tb6 -
Comments: Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society 140(28) (2018) 8858-8867
Space group: I 41
Cell volume: 88851
Cell parameters: 39.74; 39.74; 56.261; 90; 90; 90;

COD ID: 4306702
CIF file	Formula: - Nb2 O10 Rb2 Si2 - Comments: Jhen-Ming Tasi; Po-Tao Tu; Ting-Shan Chan; Kwang-Hwa Lii Synthesis and Characterization of Open-Framework Niobium Silicates: Rb2(Nb2O4)(Si2O6).H2O and the Dehydrated Phase Rb2(Nb2O4)(Si2O6) Inorganic Chemistry 47 (2008) 11223-11227 Space group: I 41 Cell volume: 4071.4 Cell parameters: 10.2395; 10.2395; 38.832; 90; 90; 90;

COD ID: 4313467

Formula: - C60 H42 N15 Y -
Comments: Klaus Müller-Buschbaum; Catharina C. Quitmann Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu Inorganic Chemistry 42 (2003) 2742-2750
Space group: I 41
Cell volume: 10603.4
Cell parameters: 16.8491; 16.8491; 37.35; 90; 90; 90;

COD ID: 4313468

Formula: - C60 H42 N15 Yb -
Comments: Klaus Müller-Buschbaum; Catharina C. Quitmann Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu Inorganic Chemistry 42 (2003) 2742-2750
Space group: I 41
Cell volume: 10549.4
Cell parameters: 16.8303; 16.8303; 37.243; 90; 90; 90;

COD ID: 4313469

Formula: - C120 H84 N30 Sm2 -
Comments: Klaus Müller-Buschbaum; Catharina C. Quitmann Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu Inorganic Chemistry 42 (2003) 2742-2750
Space group: I 41
Cell volume: 10739
Cell parameters: 16.901; 16.901; 37.595; 90; 90; 90;

COD ID: 4313470

Formula: - C120 H84 Eu2 N30 -
Comments: Klaus Müller-Buschbaum; Catharina C. Quitmann Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu Inorganic Chemistry 42 (2003) 2742-2750
Space group: I 41
Cell volume: 10686.8
Cell parameters: 16.8589; 16.8589; 37.6; 90; 90; 90;

COD ID: 4326121

Formula: - C120 H100 N12 O20 Zn8 -
Comments: Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis Inorganic Chemistry 50 (2011) 7934-7936
Space group: I 41
Cell volume: 11061.7
Cell parameters: 16.4536; 16.4536; 40.86; 90; 90; 90;

COD ID: 4333123

Formula: - C100 H88 Cl8 O16 P8 W4 -
Comments: Jimtaisong, Ampa; Luck, Rudy L. Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2 Inorganic Chemistry 45(25) (2006) 10391-10402
Space group: I 41
Cell volume: 10613
Cell parameters: 19.268; 19.268; 28.587; 90; 90; 90;

COD ID: 4337896
CIF file	Formula: - C48 H30 N5 O Zn - Comments: Jiang, Jiaxun; Fang, Xianshi; Liu, Baozhen; Hu, Chuanjiang m-Phthalic Diamide-Linked Zinc Bisporphyrinate: Spontaneous Resolution of Its Crystals and Its Application in Chiral Recognition of Amino Acid Esters. Inorganic chemistry 53(7) (2014) 3298 Space group: I 41 Cell volume: 8589 Cell parameters: 17.809; 17.809; 27.08; 90; 90; 90;

COD ID: 4341865

Formula: - C88 H78 Au4 F18 O2 P8 -
Comments: Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O. Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence. Inorganic chemistry (2014) 141201154356007
Space group: I 41
Cell volume: 9163.4
Cell parameters: 28.8989; 28.8989; 10.9722; 90; 90; 90;

COD ID: 4345422
CIF file	Formula: - C48 H68 Na4 O36 U4 - Comments: Thuéry, Pierre; Harrowfield, Jack Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality. Inorganic chemistry 56(3) (2017) 1455-1469 Space group: I 41 Cell volume: 6325.5 Cell parameters: 17.8219; 17.8219; 19.9154; 90; 90; 90;

COD ID: 4345608
CIF file	Formula: - C144 H128 Mn4 N32 Nb2 - Comments: Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4). Inorganic chemistry 56(7) (2017) 4021-4027 Space group: I 41 Cell volume: 34649 Cell parameters: 23.621; 23.621; 62.101; 90; 90; 90;

COD ID: 4345609
CIF file	Formula: - C144 H128 Fe4 N32 Nb2 - Comments: Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4). Inorganic chemistry 56(7) (2017) 4021-4027 Space group: I 41 Cell volume: 32975.1 Cell parameters: 22.9169; 22.9169; 62.7877; 90; 90; 90;

COD ID: 4348071

Formula: - C58 H40 Cd2 N12 O8 -
Comments: Liu, Xiao-Jing; Zhang, Ying-Hui; Chang, Ze; Li, Ai-Lin; Tian, Dan; Yao, Zhao-Quan; Jia, Yan-Yuan; Bu, Xian-He A Water-Stable Metal-Organic Framework with a Double-Helical Structure for Fluorescent Sensing. Inorganic chemistry 55(15) (2016) 7326-7328
Space group: I 41
Cell volume: 16314
Cell parameters: 22.261; 22.261; 32.92; 90; 90; 90;

COD ID: 4348613
CIF file	Formula: - C39.5 H21 F10 Ga N5 - Comments: Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro Metal Complexes of meso-meso Linked Corrole Dimers. Inorganic chemistry 55(17) (2016) 8920-8927 Space group: I 41 Cell volume: 7312 Cell parameters: 18.057; 18.057; 22.425; 90; 90; 90;

COD ID: 4502999
CIF file	Formula: - C58 H83 Cl2.5 N28 O25 - Comments: Danylyuk, Oksana; Fedin, Vladimir P. Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril Crystal Growth & Design 12(2) (2012) 550 Space group: I 41 Cell volume: 14476.8 Cell parameters: 31.3812; 31.3812; 14.7005; 90; 90; 90;

COD ID: 4508551
CIF file	Formula: - F15 K15 Mo5 O15 - Comments: Fry, Allyson M.; Woodward, Patrick M. Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting Crystal Growth & Design 13(12) (2013) 5404 Space group: I 41 Cell volume: 13103.9 Cell parameters: 19.386129; 19.386129; 34.86739; 90; 90; 90;

COD ID: 4508552
CIF file	Formula: - F15 Mo5 O15 Rb15 - Comments: Fry, Allyson M.; Woodward, Patrick M. Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting Crystal Growth & Design 13(12) (2013) 5404 Space group: I 41 Cell volume: 14576.2 Cell parameters: 20.07484; 20.07484; 36.16937; 90; 90; 90;

COD ID: 4509205

Formula: - C14 H10 Cu O5 -
Comments: Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs Crystal Growth & Design 9(3) (2009) 1505
Space group: I 41
Cell volume: 4247
Cell parameters: 18.119; 18.119; 12.935; 90; 90; 90;

COD ID: 4511183

Formula: - C53 H51 Mn3 N4 O14 -
Comments: Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K. Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks Crystal Growth & Design 9(1) (2009) 577
Space group: I 41
Cell volume: 5009.4
Cell parameters: 18.966; 18.966; 13.9262; 90; 90; 90;

COD ID: 4516260
CIF file	Formula: - C13 H20 N12 - Comments: Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin Solvent Dependent Structures of Melamine: Porous or Nonporous? Crystal Growth & Design 15(4) (2015) 1871 Space group: I 41 Cell volume: 3679.5 Cell parameters: 12.2365; 12.2365; 24.574; 90; 90; 90;

COD ID: 7012343

Formula: - C10 H18 Cl2 Cu N2 O -
Comments: Pulacchini, Sonia; Sibbons, Kevin F.; Shastri, Kirtida; Motevalli, Majid; Watkinson, Michael; Wan, Hayley; Whiting, Andrew; Lightfoot, Andrew P. Synthesis of C2-symmetric aza- and azaoxa-macrocyclic ligands derived from (1R,2R)-1,2-diaminocyclohexane and their applications in catalysisBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands. Dalton Transactions (issue 10) (2003) 2043
Space group: I 41
Cell volume: 5322.5
Cell parameters: 26.629; 26.629; 7.506; 90; 90; 90;

COD ID: 7024462

Formula: - C24 H24 N16 O0 Zn4 -
Comments: Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Teat, Simon J.; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E. The use of ionic liquids in the synthesis of zinc imidazolate frameworks. Dalton transactions (Cambridge, England : 2003) 39(7) (2010) 1758-1762
Space group: I 41
Cell volume: 6690.6
Cell parameters: 22.5999; 22.5999; 13.0994; 90; 90; 90;

COD ID: 7025485

Formula: - C322 H293 F96 Fe8 N53 O11 P16 -
Comments: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A. Mix and match: templating chiral Schiff base ligands to suit the needs of the metal ion. Dalton transactions (Cambridge, England : 2003) 39(22) (2010) 5332-5340
Space group: I 41
Cell volume: 17081
Cell parameters: 20.413; 20.413; 40.992; 90; 90; 90;

COD ID: 7025920

Formula: - C104 H72 B4 F16 Mn6 N16 O16 -
Comments: Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S. Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands. Dalton transactions (Cambridge, England : 2003) 39(31) (2010) 7236-7249
Space group: I 41
Cell volume: 13119.3
Cell parameters: 29.3102; 29.3102; 15.2712; 90; 90; 90;

COD ID: 7033577
CIF file	Formula: - C52 H45 Eu N8 O16 - Comments: Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde. Dalton transactions (Cambridge, England : 2003) 44(9) (2015) 4362-4369 Space group: I 41 Cell volume: 4835 Cell parameters: 16.688; 16.688; 17.36; 90; 90; 90;

COD ID: 7033578

Formula: - C52 H45 N8 O16 Tb -
Comments: Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde. Dalton transactions (Cambridge, England : 2003) 44(9) (2015) 4362-4369
Space group: I 41
Cell volume: 4784.9
Cell parameters: 16.614; 16.614; 17.3352; 90; 90; 90;

COD ID: 7035339

Formula: - C97 H62 Cu2 N10 O2 -
Comments: Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates. Dalton transactions (Cambridge, England : 2003) 44(28) (2015) 12511-12515
Space group: I 41
Cell volume: 8624.4
Cell parameters: 17.8413; 17.8413; 27.0941; 90; 90; 90;

COD ID: 7039485
CIF file	Formula: - C126 H137 Co4 Dy4 N11 O62 - Comments: She, Shixiong; Li, Yahong; Li, Wu Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation. Dalton transactions (Cambridge, England : 2003) 45(26) (2016) 10830-10835 Space group: I 41 Cell volume: 30673 Cell parameters: 26.286; 26.286; 44.3921; 90; 90; 90;

COD ID: 7039486
CIF file	Formula: - C126 H137 Dy4 N11 Ni4 O62 - Comments: She, Shixiong; Li, Yahong; Li, Wu Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation. Dalton transactions (Cambridge, England : 2003) 45(26) (2016) 10830-10835 Space group: I 41 Cell volume: 30665 Cell parameters: 26.277; 26.277; 44.411; 90; 90; 90;

COD ID: 7042923
CIF file	Formula: - C32 H32 Cl4 Cr2 N6 O2 - Comments: Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan Magneto-structural correlations in a family of dialkoxo bridged chromium dimers Dalton Trans. (2017) Space group: I 41 Cell volume: 6755 Cell parameters: 16.2418; 16.2418; 25.6069; 90; 90; 90;

COD ID: 7054992
CIF file	Formula: - C17 H16 N2 - Comments: Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Huang, Po-Jui; Hou, Ruei-Jhih; Wang, Jeh-Jeng A sequential one-pot approach to 1,2,4,5-tetrasubstituted-2H-imidazole synthesis from disubstituted alkynes New J. Chem. 39(9) (2015) 6914 Space group: I 41 Cell volume: 1566.44 Cell parameters: 10.6396; 10.6396; 13.8377; 90; 90; 90;

COD ID: 7057247

Formula: - C16.92 H30.72 Cl3 N4 O Ru S -
Comments: Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S. Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study New Journal of Chemistry 42(9) (2018) 6858
Space group: I 41
Cell volume: 8484.4
Cell parameters: 18.0029; 18.0029; 26.178; 90; 90; 90;

COD ID: 7061315
CIF file	Formula: - C21 H15 Cl4 Cu N O3 - Comments: Kumar, Sunil; Choudhary, Mukesh Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease New Journal of Chemistry 46(10) (2022) 4911-4926 Space group: I 41 Cell volume: 4382 Cell parameters: 15.311; 15.311; 18.692; 90; 90; 90;

COD ID: 7105399

Formula: - C56 H40 Ho2 Na2 O16 -
Comments: Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K. [LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand Chemical Communications (Cambridge, United Kingdom) 46(15) (2010) 2551-2553
Space group: I 41
Cell volume: 5071.8
Cell parameters: 16.1249; 16.1249; 19.506; 90; 90; 90;

COD ID: 7105400

Formula: - C56 H40 Dy2 Na2 O16 -
Comments: Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K. [LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand Chemical Communications (Cambridge, United Kingdom) 46(15) (2010) 2551-2553
Space group: I 41
Cell volume: 5091.6
Cell parameters: 16.1379; 16.1379; 19.5507; 90; 90; 90;

COD ID: 7117317
CIF file	Formula: - C30 H30 N2 O4 - Comments: Jianlin Zhang; Yulong Zhang; Lili Lin; Qian Yao; Xiaohua Liu; Xiaoming Feng Catalytic asymmetric desymmetrization of N-arylmaleimides: efficient construction of both atom chirality and axial chirality Chem.Commun. 51 (2015) 10554 Space group: I 41 Cell volume: 5087.67 Cell parameters: 17.4485; 17.4485; 16.711; 90; 90; 90;

COD ID: 7128320

Formula: - C20 H32 Cl Cu N4 O6 S2 -
Comments: Luo, Bi; Chen, Liguang; Hong, Zhaoguo; You, Xin; Huang, Fu-Ping; Bian, He-Dong; Zhang, Liangliang; Zhao, Shulin A simple and feasible atom-precise biotinylated Cu(i) complex for tumor-targeted chemodynamic therapy. Chemical communications (Cambridge, England) 57(49) (2021) 6046-6049
Space group: I 41
Cell volume: 6639.2
Cell parameters: 37.3667; 37.3667; 4.75497; 90; 90; 90;

COD ID: 7152217
CIF file	Formula: - C11 H18 N2 O3 - Comments: Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin Omegatides: constrained analogs of peptide primary sequence. Organic & biomolecular chemistry 10(5) (2012) 921-924 Space group: I 41 Cell volume: 5268.5 Cell parameters: 19.2441; 19.2441; 14.2264; 90; 90; 90;

COD ID: 7156456

Formula: - C64 H66 N4 O4 -
Comments: Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme. Organic & biomolecular chemistry 16(41) (2018) 7725-7736
Space group: I 41
Cell volume: 7393.4
Cell parameters: 18.3696; 18.3696; 21.91; 90; 90; 90;

COD ID: 7200654

Formula: - C18 H18 N12 O4 Ru S -
Comments: Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers CrystEngComm 11(6) (2009) 1114
Space group: I 41
Cell volume: 2271
Cell parameters: 12.6267; 12.6267; 14.244; 90; 90; 90;

COD ID: 7204640
CIF file	Formula: - C18 H15 Cr N12 O4 S - Comments: Krister Larsson; Lars Öhrström A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes CrystEngComm 5(38) (2003) 222-225 Space group: I 41 Cell volume: 2345.8 Cell parameters: 12.8274; 12.8274; 14.2567; 90; 90; 90;

COD ID: 7206176
CIF file	Formula: - C96 H157 Cl N56 O63 Rb2 - Comments: Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril CrystEngComm 13(16) (2011) 5105 Space group: I 41 Cell volume: 15196 Cell parameters: 27.994; 27.994; 19.391; 90; 90; 90;

COD ID: 7208597
CIF file	Formula: - C15 H13 N2 S - Comments: Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K. An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles Green Chemistry 14(9) (2012) 2491 Space group: I 41 Cell volume: 2737.7 Cell parameters: 14.933; 14.933; 12.2771; 90; 90; 90;

COD ID: 7214962
CIF file	Formula: - C18 H18 Co N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2315.47 Cell parameters: 12.7419; 12.7419; 14.2617; 90; 90; 90;

COD ID: 7214963
CIF file	Formula: - C18 H18 N12 Ni O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2284.74 Cell parameters: 12.6811; 12.6811; 14.2077; 90; 90; 90;

COD ID: 7214964
CIF file	Formula: - C18 H18 Mn N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2398.1 Cell parameters: 12.8487; 12.8487; 14.526; 90; 90; 90;

COD ID: 7214965
CIF file	Formula: - C18 H18 Fe N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2381.83 Cell parameters: 12.866; 12.866; 14.3888; 90; 90; 90;

COD ID: 7214966
CIF file	Formula: - C18 H18 N12 O4 S Zn - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2346.2 Cell parameters: 12.783; 12.783; 14.358; 90; 90; 90;

COD ID: 7214967
CIF file	Formula: - C18 H18 N12 O4 Ru S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2259 Cell parameters: 12.5812; 12.5812; 14.2715; 90; 90; 90;

COD ID: 7214968
CIF file	Formula: - C18 H18 Co N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2317.17 Cell parameters: 12.7455; 12.7455; 14.2641; 90; 90; 90;

COD ID: 7214969
CIF file	Formula: - C20 H18 N10 Ni O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2286.38 Cell parameters: 12.6871; 12.6871; 14.2044; 90; 90; 90;

COD ID: 7214970
CIF file	Formula: - C18 H18 Mn N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2403.2 Cell parameters: 12.8656; 12.8656; 14.5185; 90; 90; 90;

COD ID: 7214971
CIF file	Formula: - C18 H18 Fe N12 O4 S - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2379.25 Cell parameters: 12.8616; 12.8616; 14.383; 90; 90; 90;

COD ID: 7214972
CIF file	Formula: - C18 H18 N12 O4 S Zn - Comments: Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers CrystEngComm 14(23) (2012) 8117 Space group: I 41 Cell volume: 2351.2 Cell parameters: 12.8115; 12.8115; 14.325; 90; 90; 90;

COD ID: 7217056

Formula: - C32 H32 Mn N2 O5 -
Comments: Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers CrystEngComm 16(36) (2014) 8429
Space group: I 41
Cell volume: 5672.6
Cell parameters: 20.2631; 20.2631; 13.8155; 90; 90; 90;

COD ID: 7217057

Formula: - C32 H32 Cu N2 O5 -
Comments: Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers CrystEngComm 16(36) (2014) 8429
Space group: I 41
Cell volume: 5808.5
Cell parameters: 20.572; 20.572; 13.725; 90; 90; 90;

COD ID: 7218021
CIF file	Formula: - C32 H32 Co N2 O5 - Comments: Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers CrystEngComm 16(36) (2014) 8429 Space group: I 41 Cell volume: 5589 Cell parameters: 20.184; 20.184; 13.719; 90; 90; 90;

COD ID: 7220381

Formula: - C82 H68 Ag2 N2 P4 S2 -
Comments: Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K. Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides CrystEngComm 17(23) (2015) 4367
Space group: I 41
Cell volume: 14473.2
Cell parameters: 20.4449; 20.4449; 34.6253; 90; 90; 90;

COD ID: 7222314
CIF file	Formula: - C2 H15 N2 O17 P4 V2 - Comments: Calin, N.; Serre, C.; Sevov, S.C. V(III) V(IV) (H P O4)4 * enH * (H2 O): a mixed-valence vanadium phosphate with an open framework Journal of Materials Chemistry 13 (2003) 531-534 Space group: I 41 Cell volume: 677.736 Cell parameters: 6.3881; 6.3881; 16.608; 90; 90; 90;

COD ID: 7222666

Formula: - Ca11 O24 Re4 -
Comments: Jeitschko, W.; Moens, H.A.; Moeller, M.H.; Rodewald, U.C. The crystal structure of the potential ferroelectric calcium rhenate(VI,VII) Ca11 Re4 O24 and its relation to the structure of Sr11 Os4 O24 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 31-36
Space group: I 41
Cell volume: 1972.11
Cell parameters: 11.07; 11.07; 16.093; 90; 90; 90;

COD ID: 7223374
CIF file	Formula: - C33 H32 N2 O8 - Comments: Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid CrystEngComm 18(1) (2016) 123 Space group: I 41 Cell volume: 6460 Cell parameters: 28.639; 28.639; 7.8757; 90; 90; 90;

COD ID: 7224120
CIF file	Formula: - C108 H150 Ag6 N30 O21 - Comments: Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L. Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object CrystEngComm 18(11) (2016) 1883 Space group: I 41 Cell volume: 45747 Cell parameters: 24.5154; 24.5154; 76.118; 90; 90; 90;

COD ID: 7228855
CIF file	Formula: - C35 H36 N2 O10 Zn - Comments: Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger Coordination polymers from a flexible alkyldiamine-derived ligand CrystEngComm (2017) Space group: I 41 Cell volume: 10903 Cell parameters: 25.876; 25.876; 16.283; 90; 90; 90;

COD ID: 7231557
CIF file	Formula: - C48 H32 I8 Mn2 N16 Nb - Comments: Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds CrystEngComm (2018) Space group: I 41 Cell volume: 6193.5 Cell parameters: 20.873; 20.873; 14.2157; 90; 90; 90;

COD ID: 7231558
CIF file	Formula: - C48 H32 I8 Mn2 N16 Nb - Comments: Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds CrystEngComm (2018) Space group: I 41 Cell volume: 6199.8 Cell parameters: 20.8811; 20.8811; 14.219; 90; 90; 90;

COD ID: 7231560
CIF file	Formula: - C48 H32 I8 Mn2 N16 Nb - Comments: Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds CrystEngComm (2018) Space group: I 41 Cell volume: 6102 Cell parameters: 20.7954; 20.7954; 14.1103; 90; 90; 90;

COD ID: 7231562
CIF file	Formula: - C48 H32 I8 Mn2 N16 Nb - Comments: Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds CrystEngComm (2018) Space group: I 41 Cell volume: 6100.8 Cell parameters: 20.792; 20.792; 14.1122; 90; 90; 90;

COD ID: 7232410
CIF file	Formula: - C24 H12 Cu N O5 - Comments: Bommakanti, Suresh; Das, Samar K. A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry CrystEngComm 21(14) (2019) 2438 Space group: I 41 Cell volume: 4279 Cell parameters: 16.174; 16.174; 16.357; 90; 90; 90;

COD ID: 7233313

Formula: - C40.5 H36 Cl N3 O1.5 Os P2 -
Comments: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics (2019)
Space group: I 41
Cell volume: 14405
Cell parameters: 23.138; 23.138; 26.906; 90; 90; 90;

COD ID: 7237401

Formula: - C18 H15 N5 S -
Comments: Venkataramudu, Uppari; Sahoo, Chakradhar; Leelashree, Solaiappan; Venkatesh, Mottamchetty; Ganesh, Damarla; Naraharisetty, Sri Ram Gopal; Chaudhary, Anil Kumar; Srinath, Sanyadanam; Chandrasekar, Rajadurai Terahertz radiation and second-harmonic generation from a single-component polar organic ferroelectric crystal Journal of Materials Chemistry C 6(35) (2018) 9330
Space group: I 41
Cell volume: 3254.6
Cell parameters: 12.8855; 12.8855; 19.6018; 90; 90; 90;

COD ID: 7237599

Formula: - C14 H13 N O -
Comments: Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule Journal of Materials Chemistry C 7(9) (2019) 2530
Space group: I 41
Cell volume: 4472.2
Cell parameters: 27.33; 27.33; 5.9874; 90; 90; 90;

COD ID: 7237600

Formula: - C56 H52 N4 O4 -
Comments: Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule Journal of Materials Chemistry C 7(9) (2019) 2530
Space group: I 41
Cell volume: 4511.7
Cell parameters: 27.4577; 27.4577; 5.9843; 90; 90; 90;

COD ID: 7243061

Formula: - C262.38 H275.18 N18 O85.27 Rb3.98 -
Comments: Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio 3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams CrystEngComm 23(29) (2021) 5053-5059
Space group: I 41
Cell volume: 96144
Cell parameters: 57.3567; 57.3567; 29.225; 90; 90; 90;

COD ID: 7243697
CIF file	Formula: - C8 H7 F O2 Te0.5 - Comments: Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates RSC Advances 11(52) (2021) 32837-32840 Space group: I 41 Cell volume: 3304.4 Cell parameters: 16.7448; 16.7448; 11.7851; 90; 90; 90;

COD ID: 7712909