Search results

Formula: - C20 H22 O6 -
Comments: Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters 7(5) (2005) 881-884
Space group: I 4
Cell volume: 3666
Cell parameters: 19.327; 19.327; 9.814; 90; 90; 90;

COD ID: 1516011
CIF file	Formula: - C20 H32 O4 - Comments: Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products 76(6) (2013) 1032-1038 Space group: I 4 Cell volume: 3802.8 Cell parameters: 20.0401; 20.0401; 9.4689; 90; 90; 90;

COD ID: 1517273
CIF file	Formula: - C82.5 H63 Br3 Cl3 N9 Rh2 - Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352 Space group: I 4 Cell volume: 3856.3 Cell parameters: 14.7855; 14.7855; 17.6398; 90; 90; 90;

COD ID: 1521370

Formula: - C27 H31 B F4 O6 -
Comments: Lamsa, Markku; Pursiainen, Jouni; Rissanen, Kari; Huuskonen, Juhani Complexation of Crown Ethers and Podands with Tropylium Cations: Determination of Stability Constants and Crystal Structure of the Dibenzo-24-Crown-8-Tropylium Cation Complex Acta Chemica Scandinavica 52 (1998) 563-570
Space group: I 4
Cell volume: 2607.43
Cell parameters: 13.126; 13.126; 15.1338; 90; 90; 90;

COD ID: 1521857
CIF file	Formula: - Al1.7 Si3.3 U3 - Comments: Rogl, P.; Andre, G.; Noel, H.; Bouree, F. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M'= Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials 191 (1999) 291-300 Space group: I 4 Cell volume: 631.533 Cell parameters: 7.6292; 7.6292; 10.8502; 90; 90; 90;

COD ID: 1521858
CIF file	Formula: - Ga1.92 Si3.08 U3 - Comments: Rogl, P.; Noel, H.; Andre, G.; Bouree, F. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials 191 (1999) 291-300 Space group: I 4 Cell volume: 633.035 Cell parameters: 7.6426; 7.6426; 10.8379; 90; 90; 90;

COD ID: 1521859
CIF file	Formula: - Al2.06 Ge2.94 U3 - Comments: Rogl, P.; Andre, G.; Bouree, F.; Noel, H. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials 191 (1999) 291-300 Space group: I 4 Cell volume: 662.709 Cell parameters: 7.749; 7.749; 11.0365; 90; 90; 90;

COD ID: 1525610
CIF file	Formula: - Ba1.114 Mo8 O16 - Comments: Barrier, N.; Gougeon, P.; Retoux, R. Synthesis, crystal structure and TEM study of the new hollandite - type Ba8/7 Mo8 O16 Journal of Alloys Compd. 317 (2001) 120-126 Space group: I 4 Cell volume: 2112.89 Cell parameters: 10.216; 10.216; 20.2449; 90; 90; 90;

COD ID: 1528369
CIF file	Formula: - Br Cl3 O W - Comments: Boorman, P.M.; Greenwood, N.N.; Whitfield, H.J. Mixed Bromide-Chloride of Tungsten(VI) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1968 (1968) 2256-2258 Space group: I 4 Cell volume: 288.91 Cell parameters: 8.52; 8.52; 3.98; 90; 90; 90;

COD ID: 1529521
CIF file	Formula: - F10 O9 Pb5 W3 - Comments: Abrahams, S.C.; Marsh, P.; Ravez, J. Ferroelectric structure and related properties of Pb5 W3 O9 F10 Journal of Chemical Physics 87 (1987) 6012-6020 Space group: I 4 Cell volume: 1566.27 Cell parameters: 14.583; 14.583; 7.365; 90; 90; 90;

COD ID: 1530004
CIF file	Formula: - Ca2 Cl2 O3 Si - Comments: Golovastikov, N.I.; Kazak, V.F. The crystal structure of calcium chlorosilicate Ca2 Si O3 Cl2 Kristallografiya 22 (1977) 962-965 Space group: I 4 Cell volume: 1069.51 Cell parameters: 10.698; 10.698; 9.345; 90; 90; 90;

COD ID: 1535408
CIF file	Formula: - Ba1.12 O16 Ti8 - Comments: Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K. Modulated structure of a new natural member of hollandite family. Kristallografiya 37 (1992) 598-605 Space group: I 4 Cell volume: 300.421 Cell parameters: 10.071; 10.071; 2.962; 90; 90; 90;

COD ID: 1535409
CIF file	Formula: - Ba1.15 O16 Ti8 - Comments: Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K. Modulated structure of a new natural member of hollandite family. Kristallografiya 37 (1992) 598-605 Space group: I 4 Cell volume: 1502.1 Cell parameters: 10.071; 10.071; 14.81; 90; 90; 90;

COD ID: 1537407
CIF file	Formula: - Cl4 O W - Comments: Hess, H.; Hartung, H. Die Kristallstruktur von Wolframoxidchlorid W O Cl4 und Wolframoxidbromid W O Br4 Zeitschrift fuer Anorganische und Allgemeine Chemie 344 (1966) 157-166 Space group: I 4 Cell volume: 287.282 Cell parameters: 8.48; 8.48; 3.995; 90; 90; 90;

COD ID: 1544464

Formula: - C31 H38 N2 O5 -
Comments: Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science 8(2) (2017) 1560-1569
Space group: I 4
Cell volume: 5715.3
Cell parameters: 27.2685; 27.2685; 7.6863; 90; 90; 90;

COD ID: 1548561

Formula: - C23 H29 N O3 -
Comments: Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications 6 (2015) 6096
Space group: I 4
Cell volume: 4323.3
Cell parameters: 25.728; 25.728; 6.5313; 90; 90; 90;

COD ID: 1548975
CIF file	Formula: - C26 H15 N6 O11 Zn2 - Comments: Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying A trichromatic MOF composite for multidimensional ratiometric luminescent sensing. Chemical science 9(11) (2018) 2918-2926 Space group: I 4 Cell volume: 13741 Cell parameters: 27.458; 27.458; 18.225; 90; 90; 90;

COD ID: 1549029

Formula: - C86 H162 Co Cr7 F8 N O33 -
Comments: Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano Anisotropy of CoII transferred to the Cr7Co polymetallic cluster via strong exchange interactions. Chemical science 9(14) (2018) 3555-3562
Space group: I 4
Cell volume: 6419.3
Cell parameters: 19.9066; 19.9066; 16.1991; 90; 90; 90;

COD ID: 1553345

Formula: - C27 H36 O8 -
Comments: Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui BACE1 Inhibitory Meroterpenoids from Aspergillus terreus. Journal of natural products 81(9) (2018) 1937-1945
Space group: I 4
Cell volume: 5203.71
Cell parameters: 27.2552; 27.2552; 7.0051; 90; 90; 90;

COD ID: 2002233
CIF file	Formula: - Bi2 Cu O4 - Comments: Arpe, R; Mueller-Buschbaum, Hk Isolierte quadratisch planare (Cu O4)6- -Polyeder in Cu Bi2 O4, ein neuer Bautyp zur Formel (Me3+)2 M2+ O4 Zeitschrift fuer Anorganische und Allgemeine Chemie 426 (1976) 1-6 Space group: I 4 Cell volume: 418.4 Cell parameters: 8.484; 8.484; 5.813; 90; 90; 90;

COD ID: 2009277
CIF file Original IUCr paper	Formula: - C15 H18 Fe O3 - Comments: Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine [(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene Acta Crystallographica Section C 55(12) (1999) 2045-2047 Space group: I 4 Cell volume: 2585 Cell parameters: 20.521; 20.521; 6.1384; 90; 90; 90;

COD ID: 2012217

Formula: - C20 H24 Cl2 N8 Ru -
Comments: Bellucci, Cinzia; Cini, Renzo trans-Dichlorotetrakis(4-methylpyrimidine-N^1^)ruthenium(II) Acta Crystallographica Section C 57(9) (2001) 1039-1040
Space group: I 4
Cell volume: 1173.71
Cell parameters: 11.295; 11.295; 9.2; 90; 90; 90;

COD ID: 2012874

Formula: - C7 H14 N2 O3 -
Comments: Görbitz, Carl Henrik N-(L-2-Aminobutyryl)-L-alanine and 2-(L-alanylamino)-L-butyric acid 0.33-hydrate Acta Crystallographica Section C 58(8) (2002) o533-o536
Space group: I 4
Cell volume: 1677.8
Cell parameters: 17.929; 17.929; 5.2196; 90; 90; 90;

COD ID: 2015186

Formula: - C40 H40 Cl2 Co N16 -
Comments: Graham M. Davies; Harry Adams; Michael D. Ward Dichlorotetrakis[3-(4-pyridyl)-1H-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant Acta Crystallographica Section C 61(11) (2005) m485-m487
Space group: I 4
Cell volume: 2119
Cell parameters: 15.649; 15.649; 8.653; 90; 90; 90;

COD ID: 2017518

Formula: - C13.375 H25.5 O11.375 -
Comments: Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S. Methyl 4-O-β-D-galactopyranosyl α-D-mannopyranoside methanol 0.375-solvate Acta Crystallographica Section C 66(2) (2010) o67-o70
Space group: I 4
Cell volume: 3449.37
Cell parameters: 20.1789; 20.1789; 8.4712; 90; 90; 90;

COD ID: 2017799

Formula: - C48 H60 O16 Th -
Comments: Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V. catena-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding Acta Crystallographica Section C 66(10) (2010) m276-m279
Space group: I 4
Cell volume: 2128.2
Cell parameters: 16.8182; 16.8182; 7.524; 90; 90; 90;

COD ID: 2019085

Formula: - C7 H14 N2 O4 -
Comments: Görbitz, Carl Henrik; Yadav, Vitthal N. An unexpected tetragonal unit cell for N-(L-2-aminobutyryl)-L-serine Acta Crystallographica Section C 69(8) (2013) 888-891
Space group: I 4
Cell volume: 1728.3
Cell parameters: 18.335; 18.335; 5.141; 90; 90; 90;

COD ID: 2101435
CIF file Original IUCr paper	Formula: - C34 H44 O14.5 - Comments: Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L. Molecular and crystal structure of azadirachtin-H Acta Crystallographica Section B 52(1) (1996) 145-150 Space group: I 4 Cell volume: 6536.4 Cell parameters: 29.145; 29.145; 7.695; 90; 90; 90;

COD ID: 2104158

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 4
Cell volume: 1798.08
Cell parameters: 15.004; 15.004; 7.9872; 90; 90; 90;

COD ID: 2105339
CIF file	Formula: - Ag Bi Cr4 O14 - Comments: Roult, G.; Riou, A. Etude par Diffraction X et par Diffraction Neutronique en Temps de Vol de la Structure de Ag Bi (Cr2 O7)2 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1327-1331 Space group: I 4 Cell volume: 586.713 Cell parameters: 8.4944; 8.4944; 8.1313; 90; 90; 90;

COD ID: 2106473
CIF file	Formula: - Ba F5 Fe - Comments: von der Muehll, R.; Andersson, S.; Galy, J. Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2345-2353 Space group: I 4 Cell volume: 1693.58 Cell parameters: 14.919; 14.919; 7.609; 90; 90; 90;

COD ID: 2106474
CIF file	Formula: - Al F5 Sr - Comments: von der Muehll, R.; Andersson, S.; Galy, J. Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 2345-2353 Space group: I 4 Cell volume: 1511.97 Cell parameters: 14.089; 14.089; 7.617; 90; 90; 90;

COD ID: 2205445

Formula: - C8 H16 O4 -
Comments: Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A. A low-temperature redetermination of metaldehyde Acta Crystallographica Section E 61(4) (2005) o857-o859
Space group: I 4
Cell volume: 451.44
Cell parameters: 10.4974; 10.4974; 4.0967; 90; 90; 90;

COD ID: 2230031

Formula: - C24 H22 Cu N3 O5.5 -
Comments: Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong [N-(3-Methoxy-2-oxidobenzylidene-κO^2^)threoninato-κ^2^O^1^,N](1,10-phenanthroline-κ^2^N,N')copper(II) hemihydrate Acta Crystallographica Section E 67(5) (2011) m536
Space group: I 4
Cell volume: 5222
Cell parameters: 22.527; 22.527; 10.29; 90; 90; 90;

COD ID: 2310939
CIF file	Formula: - H2 Th - Comments: Rundle, R.E.; Shull, C.G.; Woolan, E.O. The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction Acta Crystallographica (1,1948-23,1967) 5 (1952) 22-26 Space group: I 4 Cell volume: 84.554 Cell parameters: 4.1; 4.1; 5.03; 90; 90; 90;

COD ID: 2310940
CIF file	Formula: - H2 Zr - Comments: Rundle, R.E.; Shull, C.G.; Wollan, E.O. The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction Acta Crystallographica (1,1948-23,1967) 5 (1952) 22-26 Space group: I 4 Cell volume: 55.125 Cell parameters: 3.52; 3.52; 4.449; 90; 90; 90;

COD ID: 4020849

Formula: - C46 H50 B N O7 S Si -
Comments: Ho-Kee Yim; Henry N. C. Wong Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides Journal of Organic Chemistry 69 (2004) 2892-2895
Space group: I 4
Cell volume: 9700.7
Cell parameters: 31.2194; 31.2194; 9.953; 90; 90; 90;

COD ID: 4020902
CIF file	Formula: - C18 H18.5 O1.25 S - Comments: Paul Leong; Mark Lautens Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles Journal of Organic Chemistry 69 (2004) 2194-2196 Space group: I 4 Cell volume: 3118.28 Cell parameters: 18.7908; 18.7908; 8.8313; 90; 90; 90;

COD ID: 4024284

Formula: - C72 H128 O62 S4 -
Comments: Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes Journal of Organic Chemistry 74 (2009) 1082-1092
Space group: I 4
Cell volume: 11583.1
Cell parameters: 22.368; 22.368; 23.151; 90; 90; 90;

COD ID: 4027210
CIF file	Formula: - C19 H26 N2 O8 - Comments: Jory Lietard; Christian J. Leumann Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA Journal of Organic Chemistry 77 (2012) 4566-4577 Space group: I 4 Cell volume: 8805.24 Cell parameters: 36.7114; 36.7114; 6.5334; 90; 90; 90;

COD ID: 4028847

Formula: - C11 H19 N O5 -
Comments: Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide Journal of Organic Chemistry 78 (2013) 12397-12408
Space group: I 4
Cell volume: 2780.69
Cell parameters: 16.9621; 16.9621; 9.6648; 90; 90; 90;

COD ID: 4031372

Formula: - Cl3 F2 Sb -
Comments: Ballard, J.G.; Slim, D.R.; Birchall, T. Preparation of antimony(V) trichloride difluoride and its characterization by means of X-Ray crystallography, antimony-121 Moessbauer, and Raman spectroscopy Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1977 (1977) 1469-1472
Space group: I 4
Cell volume: 1194.95
Cell parameters: 12.81; 12.81; 7.282; 90; 90; 90;

COD ID: 4032511

Formula: - C38 H40 Cl N2 O2 Rh S -
Comments: Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations. The Journal of organic chemistry 82(11) (2017) 5607-5615
Space group: I 4
Cell volume: 8562.8
Cell parameters: 28.8531; 28.8531; 10.2856; 90; 90; 90;

COD ID: 4034874

Formula: - C26 H40 O5.25 Si -
Comments: Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons. The Journal of organic chemistry 83(22) (2018) 13888-13910
Space group: I 4
Cell volume: 5084.4
Cell parameters: 28.813; 28.813; 6.1244; 90; 90; 90;

COD ID: 4068322

Formula: - C31 H40 Fe O2.5 -
Comments: Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives Organometallics 28(5) (2009) 1414
Space group: I 4
Cell volume: 5517.9
Cell parameters: 25.967; 25.967; 8.1833; 90; 90; 90;

COD ID: 4069126

Formula: - C45 H70 N2 O1.5 -
Comments: Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands Organometallics 28(11) (2009) 3256
Space group: I 4
Cell volume: 8725.5
Cell parameters: 23.821; 23.821; 15.377; 90; 90; 90;

COD ID: 4105586

Formula: - C55 H74 N2 O10 Si -
Comments: Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis Journal of the American Chemical Society 133 (2011) 1506-1516
Space group: I 4
Cell volume: 12330.6
Cell parameters: 21.3411; 21.3411; 27.0738; 90; 90; 90;

COD ID: 4114130

Formula: - C356 H569 Ba2 Cl6 N99 O109 Si16 -
Comments: Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes Journal of the American Chemical Society 125 (2003) 10830-10841
Space group: I 4
Cell volume: 24556.9
Cell parameters: 30.797; 30.797; 25.8915; 90; 90; 90;

COD ID: 4114594
CIF file	Formula: - C357 H546 Cs0.92 N106.5 Na3.08 O108 Si16 - Comments: Alan Wong; James C. Fettinger; Scott L. Forman; Jeffery T. Davis; Gang Wu The Sodium Ions Inside a Lipophilic G-Quadruplex Channel as Probed by Solid-State 23Na NMR Journal of the American Chemical Society 124 (2002) 742-743 Space group: I 4 Cell volume: 24144 Cell parameters: 30.622; 30.622; 25.748; 90; 90; 90;

COD ID: 4115611
CIF file	Formula: - C176.38 H281 Ba N52 O59.5 Si8 - Comments: Xiaodong Shi; James C. Fettinger; Jeffery T. Davis Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition Journal of the American Chemical Society 123 (2001) 6738-6739 Space group: I 4 Cell volume: 24473 Cell parameters: 30.78; 30.78; 25.831; 90; 90; 90;

COD ID: 4115919
CIF file	Formula: - C44 H108 Cl8 N6 O33 V12 - Comments: N. Kawanami; T. Ozeki; A. Yagasaki NO-Anion Trapped in a Molecular Oxide Bowl Journal of the American Chemical Society 122 (2000) 1239-1240 Space group: I 4 Cell volume: 4262.41 Cell parameters: 19.3979; 19.3979; 11.3278; 90; 90; 90;

COD ID: 4116422

Formula: - C19 H25 N4 P -
Comments: Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation Journal of the American Chemical Society 121 (1999) 5807-5808
Space group: I 4
Cell volume: 3675.4
Cell parameters: 19.913; 19.913; 9.269; 90; 90; 90;

COD ID: 4117237

Formula: - C25 H45 Cs O22 -
Comments: Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart Nanoporous Carbohydrate Metal-Organic Frameworks Journal of the American Chemical Society 134 (2012) 406-417
Space group: I 4
Cell volume: 9003
Cell parameters: 24.136; 24.136; 15.454; 90; 90; 90;

COD ID: 4121495

Formula: - C22 H19 Br N O P -
Comments: Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H. NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin. Journal of the American Chemical Society 136(9) (2014) 3362-3365
Space group: I 4
Cell volume: 3882.9
Cell parameters: 27.175; 27.175; 5.2579; 90; 90; 90;

COD ID: 4126469
CIF file	Formula: - C6 H14 Cl N - Comments: Liniger, Marc; Liu, Yiyang; Stoltz, Brian M. Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids. Journal of the American Chemical Society (2017) Space group: I 4 Cell volume: 1672.65 Cell parameters: 15.0567; 15.0567; 7.3781; 90; 90; 90;

COD ID: 4130833

Formula: - C67.5 H55.5 Cl8.5 N5 O3.25 Rh -
Comments: Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand. Journal of the American Chemical Society 138(38) (2016) 12564-12577
Space group: I 4
Cell volume: 14984.5
Cell parameters: 25.0036; 25.0036; 23.9683; 90; 90; 90;

COD ID: 4132809

Formula: - C44 H28 N4 O Ti -
Comments: Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework. Journal of the American Chemical Society 140(38) (2018) 12090-12101
Space group: I 4
Cell volume: 1750.15
Cell parameters: 13.3796; 13.3796; 9.7766; 90; 90; 90;

COD ID: 4135264

Formula: - C356 H208 F168 N24 O64 Tb8 -
Comments: Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate. Journal of the American Chemical Society (2020)
Space group: I 4
Cell volume: 21804.9
Cell parameters: 30.7532; 30.7532; 23.0554; 90; 90; 90;

COD ID: 4135265

Formula: - C356 H224 Eu8 F168 N24 O64 -
Comments: Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate. Journal of the American Chemical Society (2020)
Space group: I 4
Cell volume: 21937.1
Cell parameters: 30.7803; 30.7803; 23.1544; 90; 90; 90;

COD ID: 4135267

Formula: - C356 H204 Eu8 F168 N24 O64 -
Comments: Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate. Journal of the American Chemical Society (2020)
Space group: I 4
Cell volume: 21806.4
Cell parameters: 30.7047; 30.7047; 23.1299; 90; 90; 90;

COD ID: 4135268

Formula: - C356 H208 F168 N24 O64 Tb8 -
Comments: Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate. Journal of the American Chemical Society (2020)
Space group: I 4
Cell volume: 21733.9
Cell parameters: 30.7233; 30.7233; 23.0251; 90; 90; 90;

COD ID: 4306373
CIF file	Formula: - C28 H44 Pt2 S8 - Comments: Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora Electrical Conductivity in Platinum-Dimer Columns Inorganic Chemistry 47 (2008) 9736-9738 Space group: I 4 Cell volume: 1743.5 Cell parameters: 16.927; 16.927; 6.085; 90; 90; 90;

COD ID: 4307087
CIF file	Formula: - C84 H100 Cu4 N8 S4 - Comments: Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes Inorganic Chemistry 46 (2007) 486-496 Space group: I 4 Cell volume: 5403 Cell parameters: 25.048; 25.048; 8.611; 90; 90; 90;

COD ID: 4311960
CIF file	Formula: - C36 H64 Cl F24 K2 N8 O P4 Re - Comments: Theresa I. Kückmann; Ulrich Abram Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes Inorganic Chemistry 43 (2004) 7068-7074 Space group: I 4 Cell volume: 2827.8 Cell parameters: 17.098; 17.098; 9.673; 90; 90; 90;

COD ID: 4313720
CIF file	Formula: - C88 H100 F18 N20 Ni5 O4 P3 - Comments: John F. Berry; F. Albert Cotton; Peng Lei; Tongbu Lu; Carlos A. Murillo Additional Steps toward Molecular Scale Wires: Further Study of Ni510/11+ Chains Embraced by Polypyridylamide Ligands Inorganic Chemistry 42 (2003) 3534-3539 Space group: I 4 Cell volume: 4760.1 Cell parameters: 16.3605; 16.3605; 17.7836; 90; 90; 90;

COD ID: 4314852
CIF file	Formula: - C86 H192 N8 O60 S W18 - Comments: Jun Yan; De-Liang Long; Haralampos N. Miras; Leroy Cronin Cation Controlled Assembly and Transformation of Mono- and Bi-Sulfite Templated Dawson-Type Polyoxotungstates Inorganic Chemistry 49 (2010) 1819-1825 Space group: I 4 Cell volume: 27591 Cell parameters: 41.803; 41.803; 15.7889; 90; 90; 90;

COD ID: 4317440
CIF file	Formula: - C72 H96 Cl10 Dy12 I2 N8 O94 - Comments: Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes Inorganic Chemistry 41 (2002) 278-286 Space group: I 4 Cell volume: 8684 Cell parameters: 16.5767; 16.5767; 31.602; 90; 90; 90;

COD ID: 4317441
CIF file	Formula: - C72 H96 Cl10 Er12 I2 N8 O100 - Comments: Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes Inorganic Chemistry 41 (2002) 278-286 Space group: I 4 Cell volume: 8299 Cell parameters: 16.355; 16.355; 31.026; 90; 90; 90;

COD ID: 4320950

Formula: - C24.25 H28 N O2.25 P Re S2 -
Comments: Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis Synthesis and Characterization of Six-Coordinate "3 + 2" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations Inorganic Chemistry 39 (2000) 2178-2184
Space group: I 4
Cell volume: 5007
Cell parameters: 24; 24; 8.693; 90; 90; 90;

COD ID: 4322781
CIF file	Formula: - C48 H34 N4 Si - Comments: Jian-Yu Zheng; Katsuaki Konishi; Takuzo Aida Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring Inorganic Chemistry 37 (1998) 2591-2594 Space group: I 4 Cell volume: 1882.4 Cell parameters: 13.783; 13.783; 9.909; 90; 90; 90;

COD ID: 4327218

Formula: - C22 H50 F18 Mn2 N6 O4 P3 -
Comments: Vladimir B. Romakh; Bruno Therrien; Georg Süss-Fink; Georgiy B. Shul'pin Dinuclear Manganese Complexes Containing Chiral 1,4,7-Triazacyclononane-Derived Ligands and Their Catalytic Potential for the Oxidation of Olefins, Alkanes, and Alcohols Inorganic Chemistry 46 (2007) 1315-1331
Space group: I 4
Cell volume: 8629
Cell parameters: 18.68; 18.68; 24.73; 90; 90; 90;

COD ID: 4335731

Formula: - C18 H3 Br F26 -
Comments: Subrata K. Ghosh; Ann Sullivan Ojeda; Juan Guerrero-Leal; Nattamai Bhuvanesh; John A. Gladysz New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents Inorganic Chemistry 52 (2013) 9369-9378
Space group: I 4
Cell volume: 4851.7
Cell parameters: 29.5335; 29.5335; 5.5624; 90; 90; 90;

COD ID: 4341378
CIF file	Formula: - C80 H108 Br5 F6 N8 Ni4 O2 P - Comments: Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher Dinuclear nickel complexes in five States of oxidation using a redox-active ligand. Inorganic chemistry 53(21) (2014) 11770-11777 Space group: I 4 Cell volume: 8882.9 Cell parameters: 16.8162; 16.8162; 31.4122; 90; 90; 90;

COD ID: 4341385

Formula: - C44 H28 Cl Fe N4 -
Comments: Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures. Inorganic chemistry 53(21) (2014) 11552-11562
Space group: I 4
Cell volume: 1800.49
Cell parameters: 13.5374; 13.5374; 9.8247; 90; 90; 90;

COD ID: 4341386

Formula: - C44 H28 Cl Fe N4 -
Comments: Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures. Inorganic chemistry 53(21) (2014) 11552-11562
Space group: I 4
Cell volume: 1774.5
Cell parameters: 13.504; 13.504; 9.731; 90; 90; 90;

COD ID: 4341387

Formula: - C44 H28 Cl Fe N4 -
Comments: Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures. Inorganic chemistry 53(21) (2014) 11552-11562
Space group: I 4
Cell volume: 1760.63
Cell parameters: 13.483; 13.483; 9.6849; 90; 90; 90;

COD ID: 4341388

Formula: - C44 H28 Cl Fe N4 -
Comments: Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures. Inorganic chemistry 53(21) (2014) 11552-11562
Space group: I 4
Cell volume: 1759.56
Cell parameters: 13.4761; 13.4761; 9.6889; 90; 90; 90;

COD ID: 4347958

Formula: - C66 H90 N6 O4 Tb -
Comments: Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex. Inorganic chemistry 55(13) (2016) 6609-6615
Space group: I 4
Cell volume: 3499.3
Cell parameters: 18.4142; 18.4142; 10.3199; 90; 90; 90;

COD ID: 4349403
CIF file	Formula: - C63 H64 Ag3 F9 N8 O9 P8 S3 Se4 - Comments: Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J. Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes. Inorganic chemistry 56(15) (2017) 8698-8704 Space group: I 4 Cell volume: 18259.7 Cell parameters: 34.422; 34.422; 15.4107; 90; 90; 90;

COD ID: 4500754

Formula: - C86 H192 Bi N8 O60 W18 -
Comments: McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials Crystal Growth & Design 11(6) (2011) 2471
Space group: I 4
Cell volume: 27748.1
Cell parameters: 42.0448; 42.0448; 15.6967; 90; 90; 90;

COD ID: 4504785
CIF file	Formula: - C44 H30 Cl Mn N4 O5 - Comments: George, Sumod; Goldberg, Israel Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections Crystal Growth & Design 6(3) (2006) 755 Space group: I 4 Cell volume: 1836.43 Cell parameters: 13.9892; 13.9892; 9.384; 90; 90; 90;

COD ID: 4509785
CIF file	Formula: - C120 H200 O76 U8 - Comments: Thuéry, Pierre A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework Crystal Growth & Design 9(11) (2009) 4592 Space group: I 4 Cell volume: 10686.8 Cell parameters: 17.9223; 17.9223; 33.2705; 90; 90; 90;

COD ID: 4509786
CIF file	Formula: - C120 H224 Ba4 O92 U8 - Comments: Thuéry, Pierre A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework Crystal Growth & Design 9(11) (2009) 4592 Space group: I 4 Cell volume: 10534.2 Cell parameters: 17.7501; 17.7501; 33.4349; 90; 90; 90;

COD ID: 4510506
CIF file	Formula: - C96 H170 Cu4 O89 U8 - Comments: Thuéry, Pierre Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species Crystal Growth & Design 14(5) (2014) 2665 Space group: I 4 Cell volume: 9343.7 Cell parameters: 24.227; 24.227; 15.9191; 90; 90; 90;

COD ID: 4515769

Formula: - C67.84 H95.68 Bi N4 O17.96 Rh S4 -
Comments: Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L. Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry ACS Catalysis 8(11) (2018) 10676
Space group: I 4
Cell volume: 5383.2
Cell parameters: 22.2169; 22.2169; 10.9063; 90; 90; 90;

COD ID: 6000547

Formula: - Br Cl14 P3 -
Comments: Gates, P. N.; Knachel, H. C.; Finch, A.; Fratini, A. V.; Fitch, A. N.; Nardone, O.; Otto, J. C.; Snider, D. A. Single-crystal and high-resolution X-ray-diffraction studies and Raman-spectrum of a phosphorus(V) chloride complex containing a single bromide ion, P~3~Cl~14~Br Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) (1995) 2719-2722
Space group: I 4
Cell volume: 940.88
Cell parameters: 8.739; 8.739; 12.32; 90; 90; 90;

COD ID: 6000669
CIF file	Formula: - C8 H24 Ge4 Mn N2 S10 - Comments: Achak, O.; Pivan, J. Y.; Maunaye, M.; Louer, M.; Louer, D. The ab-initio structure determination of [(CH3)(4)N]2GE4MNS10 from X-ray-powder diffraction data Journal of Alloys and Compounds 219 (1995) 111-115 Space group: I 4 Cell volume: 1282.21 Cell parameters: 9.5058; 9.5058; 14.19; 90; 90; 90;

COD ID: 7010352

Formula: - C8 H16 Cu I S4 -
Comments: Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 456
Space group: I 4
Cell volume: 660.6
Cell parameters: 8.905; 8.905; 8.331; 90; 90; 90;

COD ID: 7010353

Formula: - C8 H16 Br Cu S4 -
Comments: Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 456
Space group: I 4
Cell volume: 629.28
Cell parameters: 8.7331; 8.7331; 8.251; 90; 90; 90;

COD ID: 7010848

Formula: - C136 H92 Co N4 -
Comments: Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin Journal of the Chemical Society, Dalton Transactions (issue 20) (2001) 2975
Space group: I 4
Cell volume: 5019.9
Cell parameters: 20.399; 20.399; 12.0635; 90; 90; 90;

COD ID: 7010849

Formula: - C136 H92 Co N4 -
Comments: Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin Journal of the Chemical Society, Dalton Transactions (issue 20) (2001) 2975
Space group: I 4
Cell volume: 4784.94
Cell parameters: 19.9711; 19.9711; 11.997; 90; 90; 90;

COD ID: 7012634

Formula: - C41 H70 Cl5 Cu6 N8 Na O38 -
Comments: Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3 Dalton Trans. (issue 11) (2003) 2318-2324
Space group: I 4
Cell volume: 3397
Cell parameters: 13.708; 13.708; 18.078; 90; 90; 90;

COD ID: 7017136

Formula: - C198 H200 Er9 N O42 -
Comments: Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G. Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands. Dalton transactions (Cambridge, England : 2003) 40(45) (2011) 12169-12179
Space group: I 4
Cell volume: 12102
Cell parameters: 21.708; 21.708; 25.682; 90; 90; 90;

COD ID: 7018477
CIF file	Formula: - C106.25 H96.75 Co4 N11.25 O23.75 - Comments: Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid. Dalton transactions (Cambridge, England : 2003) 41(14) (2012) 4224-4231 Space group: I 4 Cell volume: 25910.9 Cell parameters: 31.9819; 31.9819; 25.3323; 90; 90; 90;

COD ID: 7018478
CIF file	Formula: - C108.8 H98.7 N11.6 Ni4 O22.35 - Comments: Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid. Dalton transactions (Cambridge, England : 2003) 41(14) (2012) 4224-4231 Space group: I 4 Cell volume: 25429 Cell parameters: 31.8199; 31.8199; 25.1149; 90; 90; 90;

COD ID: 7021481

Formula: - C31 H63 B Cl4 Cu3 Mo N8 O0.5 S3 -
Comments: Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties. Dalton transactions (Cambridge, England : 2003) 42(26) (2013) 9495-9504
Space group: I 4
Cell volume: 9283.5
Cell parameters: 27.8478; 27.8478; 11.971; 90; 90; 90;

COD ID: 7024961

Formula: - C38 H38 N4 O4 S2 Zr -
Comments: Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization. Dalton transactions (Cambridge, England : 2003) 39(17) (2010) 4048-4061
Space group: I 4
Cell volume: 7481.1
Cell parameters: 20.7957; 20.7957; 17.2989; 90; 90; 90;

COD ID: 7028328

Formula: - C224 H112 N16 O16 Y -
Comments: Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry. Dalton transactions (Cambridge, England : 2003) 43(4) (2014) 1699-1705
Space group: I 4
Cell volume: 10458.7
Cell parameters: 21.5507; 21.5507; 22.5192; 90; 90; 90;

COD ID: 7028329

Formula: - C224 H112 N16 O16 Y -
Comments: Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry. Dalton transactions (Cambridge, England : 2003) 43(4) (2014) 1699-1705
Space group: I 4
Cell volume: 10607.8
Cell parameters: 21.6634; 21.6634; 22.6033; 90; 90; 90;

COD ID: 7031864

Formula: - C112 H142 Cu4 N24 O35 -
Comments: Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling. Dalton transactions (Cambridge, England : 2003) 43(46) (2014) 17226-17229
Space group: I 4
Cell volume: 6668.1
Cell parameters: 13.8636; 13.8636; 34.6936; 90; 90; 90;

COD ID: 7031865

Formula: - C112 H142 Cu4 N24 O35 -
Comments: Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling. Dalton transactions (Cambridge, England : 2003) 43(46) (2014) 17226-17229
Space group: I 4
Cell volume: 6528.1
Cell parameters: 13.5331; 13.5331; 35.6444; 90; 90; 90;

COD ID: 7037214
CIF file	Formula: - C40.58 H68 Ag Cl5 Cu6 N8 O37.42 - Comments: Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli Silver complexation by metallacryptates. Dalton transactions (Cambridge, England : 2003) 45(1) (2015) 284-295 Space group: I 4 Cell volume: 3304 Cell parameters: 13.512; 13.512; 18.097; 90; 90; 90;

COD ID: 7037215
CIF file	Formula: - C40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37 - Comments: Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli Silver complexation by metallacryptates. Dalton transactions (Cambridge, England : 2003) 45(1) (2015) 284-295 Space group: I 4 Cell volume: 3246.4 Cell parameters: 13.4554; 13.4554; 17.931; 90; 90; 90;

COD ID: 7040060

Formula: - C43 H53 Cl F6 N3 O2 P2 Pt -
Comments: Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D. Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand. Dalton transactions (Cambridge, England : 2003) 45(34) (2016) 13347-13360
Space group: I 4
Cell volume: 8893.5
Cell parameters: 21.4948; 21.4948; 19.2489; 90; 90; 90;

COD ID: 7041095

Formula: - C124 H96 Cu4 N8 O8 -
Comments: Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M. Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities. Dalton transactions (Cambridge, England : 2003) 45(47) (2016) 19096-19108
Space group: I 4
Cell volume: 5721.92
Cell parameters: 15.6899; 15.6899; 23.2435; 90; 90; 90;

COD ID: 7045051
CIF file	Formula: - C77 H56 N12 Ni O8 - Comments: Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G. Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins. Dalton transactions (Cambridge, England : 2003) 47(3) (2018) 783-790 Space group: I 4 Cell volume: 17547 Cell parameters: 17.556; 17.556; 56.93; 90; 90; 90;

COD ID: 7056785

Formula: - C15 H19 N O5 S -
Comments: Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K. X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids New Journal of Chemistry 42(2) (2018) 1078
Space group: I 4
Cell volume: 3262.26
Cell parameters: 22.5029; 22.5029; 6.4423; 90; 90; 90;

COD ID: 7060957

Formula: - C18 H18 Bi Br5 N2 -
Comments: Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V. Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx] New Journal of Chemistry 45(39) (2021) 18349-18357
Space group: I 4
Cell volume: 2303
Cell parameters: 12.89; 12.89; 13.861; 90; 90; 90;

COD ID: 7060960

Formula: - C18 H18 Bi I5 N2 -
Comments: Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V. Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx] New Journal of Chemistry 45(39) (2021) 18349-18357
Space group: I 4
Cell volume: 2561.1
Cell parameters: 13.1552; 13.1552; 14.799; 90; 90; 90;

COD ID: 7062790

Formula: - C30 H48 Cr2 Ho2 O37 -
Comments: Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L. Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates New Journal of Chemistry 47(41) (2023) 19251-19264
Space group: I 4
Cell volume: 5369.2
Cell parameters: 16.2371; 16.2371; 20.3655; 90; 90; 90;

COD ID: 7102062

Formula: - C60 H96 Cl8 N8 O16 -
Comments: Brea, Roberto J; Castedo, Luis; Granja, Juan R Large-diameter self-assembled dimers of alpha,gamma-cyclic peptides, with the nanotubular solid-state structure of cyclo-[(l-Leu-D-(Me)N-gamma-Acp)(4)-].4CHCl(2)COOH. Chemical communications (Cambridge, England) (issue 31) (2007) 3267-3269
Space group: I 4
Cell volume: 9243.2
Cell parameters: 23.6648; 23.6648; 16.5051; 90; 90; 90;

COD ID: 7109258
CIF file	Formula: - C54 H66 Cl6 F6 N4 O4 Si Zn - Comments: Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6 Chem.Commun. 49 (2013) 4468 Space group: I 4 Cell volume: 7443.5 Cell parameters: 22.0927; 22.0927; 15.2503; 90; 90; 90;

COD ID: 7110147

Formula: - C82 H152 Cr7 F8 N O32 Zn -
Comments: Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals Chem.Commun. 50 (2013) 91
Space group: I 4
Cell volume: 6326.3
Cell parameters: 19.8766; 19.8766; 16.0127; 90; 90; 90;

COD ID: 7110148

Formula: - C82 H152 F8 Ga7 N O32 Zn -
Comments: Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals Chem.Commun. 50 (2013) 91
Space group: I 4
Cell volume: 6259.3
Cell parameters: 19.8454; 19.8454; 15.8931; 90; 90; 90;

COD ID: 7110877
CIF file	Formula: - C5 H15 Mo - Comments: Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad Pentamethylmolybdenum Chemical Communications (issue 12) (2000) 1039 Space group: I 4 Cell volume: 382.8 Cell parameters: 7.68; 7.68; 6.49; 90; 90; 90;

COD ID: 7110878
CIF file	Formula: - C5 H15 Ta - Comments: Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad Pentamethylmolybdenum Chemical Communications (issue 12) (2000) 1039 Space group: I 4 Cell volume: 395.62 Cell parameters: 7.85; 7.85; 6.42; 90; 90; 90;

COD ID: 7111578

Formula: - C18 H19 I2 N2 -
Comments: Arribas, Carlos Solano; Wendt, Ola F.; Sundin, Anders P.; Carling, Carl-Johan; Wang, Ruiyao; Lemieux, Robert P.; Wärnmark, Kenneth Formation of an heterochiral supramolecular cage by diastereomer self-discrimination: fluorescence enhancement and C60 sensing Chemical Communications 46(24) (2010) 4381-4383
Space group: I 4
Cell volume: 1767.6
Cell parameters: 12.8256; 12.8256; 10.7457; 90; 90; 90;

COD ID: 7118623

Formula: - C48 H80 F12 N8 O12 P4 S8 -
Comments: Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J. Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide. Chemical communications (Cambridge, England) 52(10) (2016) 2023-2026
Space group: I 4
Cell volume: 4098.2
Cell parameters: 17.5055; 17.5055; 13.3734; 90; 90; 90;

COD ID: 7119923
CIF file	Formula: - C21 H40 Cl N O Os P2 - Comments: Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven A Square-Planar Osmium(II) Complex Chem. Commun. (2017) Space group: I 4 Cell volume: 1234.13 Cell parameters: 12.0393; 12.0393; 8.5145; 90; 90; 90;

COD ID: 7126056
CIF file	Formula: - C41 H54 Ag F6 N4 P - Comments: Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi Silver ion-induced chiral enhancement by argentivorous molecules. Chemical communications (Cambridge, England) 56(23) (2020) 3373-3376 Space group: I 4 Cell volume: 1992.7 Cell parameters: 9.6472; 9.6472; 21.411; 90; 90; 90;

COD ID: 7126058
CIF file	Formula: - C41 H54 Ag F6 N4 P - Comments: Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi Silver ion-induced chiral enhancement by argentivorous molecules. Chemical communications (Cambridge, England) 56(23) (2020) 3373-3376 Space group: I 4 Cell volume: 1972.2 Cell parameters: 9.614; 9.614; 21.337; 90; 90; 90;

COD ID: 7131708
CIF file	Formula: - C22 H23 N O - Comments: Li, Jiajun; Zhai, Xinyi; Ji, Cheng-Long; Li, Weipeng; Xie, Jin Dinuclear-gold-catalyzed cyclization of 1,7-enynes with alkyl bromides. Chemical communications (Cambridge, England) 59(51) (2023) 7943-7946 Space group: I 4 Cell volume: 3522.3 Cell parameters: 19.4725; 19.4725; 9.2892; 90; 90; 90;

COD ID: 7151102
CIF file	Formula: - C94.69 H126.1 N8.65 O13.38 - Comments: Szumna, Agnieszka Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds. Organic & biomolecular chemistry 5(9) (2007) 1358-1368 Space group: I 4 Cell volume: 4514.6 Cell parameters: 23.3843; 23.3843; 8.2561; 90; 90; 90;

COD ID: 7154030
CIF file	Formula: - C26 H27.5 N6.5 O7 - Comments: Gamon, L. F.; White, J. M.; Wille, U. Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3. Organic & biomolecular chemistry 12(41) (2014) 8280-8287 Space group: I 4 Cell volume: 11211.6 Cell parameters: 26.6311; 26.6311; 15.8084; 90; 90; 90;

COD ID: 7156499

Formula: - C81 H45 Br4 N5 Zn -
Comments: Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin. Organic & biomolecular chemistry 16(43) (2018) 8106-8114
Space group: I 4
Cell volume: 3204.6
Cell parameters: 14.8911; 14.8911; 14.4517; 90; 90; 90;

COD ID: 7158676
CIF file	Formula: - C56 H88 N8 O16 - Comments: Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia Dipeptide self-assembly into water-channels and gel biomaterial Organic & Biomolecular Chemistry (2022) Space group: I 4 Cell volume: 2955.1 Cell parameters: 22.947; 22.947; 5.612; 90; 90; 90;

COD ID: 7200664
CIF file	Formula: - C68 H64 O17 - Comments: Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square CrystEngComm 11(4) (2009) 549 Space group: I 4 Cell volume: 3035.47 Cell parameters: 16.389; 16.389; 11.3011; 90; 90; 90;

COD ID: 7208296
CIF file	Formula: - C72 H84 Cd3 I6 N36 - Comments: Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains CrystEngComm 14(16) (2012) 5155 Space group: I 4 Cell volume: 4882.9 Cell parameters: 17.232; 17.232; 16.444; 90; 90; 90;

COD ID: 7209059

Formula: - C112 H132 Br4 Cu4 F12 N32 O26 Si2 -
Comments: Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands CrystEngComm 15(2) (2013) 245
Space group: I 4
Cell volume: 3556.4
Cell parameters: 14.1357; 14.1357; 17.7983; 90; 90; 90;

COD ID: 7218732

Formula: - C24 H36 Cs2 O32 Sr U4 -
Comments: Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N. Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion) CrystEngComm 17(4) (2015) 740
Space group: I 4
Cell volume: 2532.3
Cell parameters: 13.741; 13.741; 13.4117; 90; 90; 90;

COD ID: 7224700
CIF file	Formula: - C23 H31 N3 O3 S - Comments: Živković, Marijana B; Matić, Ivana Z; Rodić, Marko V; Novaković, Irena T; Sladić, Dušan; Krstic, Natalija Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines RSC Adv. (2016) Space group: I 4 Cell volume: 5310.17 Cell parameters: 21.981; 21.981; 10.9904; 90; 90; 90;

COD ID: 7228033

Formula: - C52 H60 N4 O8 Zn -
Comments: Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters. CrystEngComm (2017)
Space group: I 4
Cell volume: 27213
Cell parameters: 32.49; 32.49; 25.78; 90; 90; 90;

COD ID: 7231731
CIF file	Formula: - C96 H76 Ba2 O32 S8 - Comments: Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol CrystEngComm 20(46) (2018) 7513 Space group: I 4 Cell volume: 4734.1 Cell parameters: 17.1688; 17.1688; 16.0605; 90; 90; 90;

COD ID: 7231734
CIF file	Formula: - C96 H76 O32 S8 Sr2 - Comments: Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol CrystEngComm 20(46) (2018) 7513 Space group: I 4 Cell volume: 4559.5 Cell parameters: 16.9794; 16.9794; 15.815; 90; 90; 90;

COD ID: 7235716
CIF file	Formula: - C84 H92 Cu2 N8 O24 S4 - Comments: Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K. A homochiral luminescent compound with four-fold symmetry as a potential chemosensor for nitroanilines RSC Adv. 4(88) (2014) 47249 Space group: I 4 Cell volume: 4589 Cell parameters: 20.3483; 20.3483; 11.0831; 90; 90; 90;

COD ID: 7236905

Formula: - C120 H196 N60 O74 P8 S8 Zn6 -
Comments: Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound J. Mater. Chem. C 5(40) (2017) 10624
Space group: I 4
Cell volume: 10694.7
Cell parameters: 21.0961; 21.0961; 24.0305; 90; 90; 90;

COD ID: 7249503
CIF file	Formula: - Cl Cs O24 Se8 V4 - Comments: Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen A New Salt-Inclusion Compound CsCl·(VOSe2O5)4 Showing Nearly Isolated Spin-1/2 Chain Structure with a Typical Square Lattice CrystEngComm (2024) Space group: I 4 Cell volume: 1157.95 Cell parameters: 12.7443; 12.7443; 7.1295; 90; 90; 90;

COD ID: 7702775

Formula: - C24 H34 Cu N2 O7 -
Comments: López-Sandoval, Horacio; Contreras, Rosalinda; Escuer, Albert; Vicente, Ramon; Bernès, Sylvain; Nöth, Heinrich; Jeffery Leigh, G.; Barba-Behrens, Noráh Synthesis, crystal structure and magnetic properties of the triangulo-tricopper(ii) complex [Cu3(cpse)3(H2O)3]·8.5H2O Journal of the Chemical Society, Dalton Transactions (issue 13) (2002) 2648
Space group: I 4
Cell volume: 5083.05
Cell parameters: 27.5016; 27.5016; 6.7206; 90; 90; 90;

COD ID: 7707042

Formula: - C3 H8 N O5 P Zn -
Comments: Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties. Dalton transactions (Cambridge, England : 2003) 50(16) (2021) 5442-5445
Space group: I 4
Cell volume: 1793.23
Cell parameters: 18.4065; 18.4065; 5.29289; 90; 90; 90;

COD ID: 7707043