Search results

Formula: - C34 H48 Cl2 N2 O2 Zr -
Comments: Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency Macromolecules 39(25) (2006) 8584
Space group: I -4 2 d
Cell volume: 7845.2
Cell parameters: 23.367; 23.367; 14.368; 90; 90; 90;

COD ID: 1508491
CIF file	Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 - Comments: Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals 2(3) (2012) 1283-1290 Space group: I -4 2 d Cell volume: 3625.26 Cell parameters: 7.3259; 7.3259; 67.5487; 90; 90; 90;

COD ID: 1508492
CIF file	Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 - Comments: Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals 2(3) (2012) 1283-1290 Space group: I -4 2 d Cell volume: 3596.74 Cell parameters: 7.3066; 7.3066; 67.3719; 90; 90; 90;

COD ID: 1509031

Formula: - Ag0.736 Cu0.297 In1.011 Te1.956 -
Comments: Sakr, G.B.; El-Sayad, E.A.; Moustafa, A.M. Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method Crystal Research and Technology 39 (2004) 266-273
Space group: I -4 2 d
Cell volume: 510.889
Cell parameters: 6.36709; 6.36709; 12.60214; 90; 90; 90;

COD ID: 1509083

Formula: - Ag0.257 Cu0.766 In1.008 Te1.969 -
Comments: Sakr, G.B.; Moustafa, A.M.; El-Sayad, E.A. Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method Crystal Research and Technology 39 (2004) 266-273
Space group: I -4 2 d
Cell volume: 487.006
Cell parameters: 6.24068; 6.24068; 12.50461; 90; 90; 90;

COD ID: 1509123

Formula: - Ag0.496 Cu0.515 In1.023 Te1.966 -
Comments: El-Sayad, E.A.; Sakr, G.B.; Moustafa, A.M. Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method Crystal Research and Technology 39 (2004) 266-273
Space group: I -4 2 d
Cell volume: 499.79
Cell parameters: 6.30663; 6.30663; 12.56589; 90; 90; 90;

COD ID: 1509130
CIF file	Formula: - Ag0.5 Cu1.5 In2 Te4 - Comments: Krishna Rao, D.; Kasiviswanathan, S.; Gopalam, B.S.V. Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science 5 (1986) 912-914 Space group: I -4 2 d Cell volume: 491.662 Cell parameters: 6.271; 6.271; 12.5024; 90; 90; 90;

COD ID: 1509153
CIF file	Formula: - Ag Al S2 - Comments: Stoerger, G.; Frank, G.; Klingler, W.; Meyer, A.D. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 332.763 Cell parameters: 5.695; 5.695; 10.26; 90; 90; 90;

COD ID: 1509160
CIF file	Formula: - Ag Al Se2 - Comments: Frank, G.; Meyer, A.D.; Hahn, H.; Klingler, W.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 381.345 Cell parameters: 5.956; 5.956; 10.75; 90; 90; 90;

COD ID: 1509169
CIF file	Formula: - Ag Al Te2 - Comments: Meyer, A.D.; Frank, G.; Hahn, H.; Klingler, W.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 468.937 Cell parameters: 6.296; 6.296; 11.83; 90; 90; 90;

COD ID: 1509337
CIF file	Formula: - Ag Fe S2 - Comments: Zhuze, V.P.; Sergeeva, V.M.; Shtrum, E.L. New semiconductor compounds Zhurnal Tekhnicheskoi Fiziki 28 (1958) 233-236 Space group: I -4 2 d Cell volume: 329.967 Cell parameters: 5.66; 5.66; 10.3; 90; 90; 90;

COD ID: 1509340
CIF file	Formula: - Ag Ga0.665 In0.335 Se2 - Comments: Marenkin, S.F.; Rybakov, V.B.; Kuz'micheva, G.M.; Shcherbakov, S.I.; Shevyrdyaeva, G.S.; Chizhikov, V.I.; Panyutin, V.L. Preparation and structure of Ag Ga1-x Inx Se2 single crystals Neorganicheskie Materialy 39 (2003) 1193-1199 Space group: I -4 2 d Cell volume: 402.301 Cell parameters: 6.0138; 6.0138; 11.1238; 90; 90; 90;

COD ID: 1509341
CIF file	Formula: - Ag Ga0.82 In0.18 Se2 - Comments: Kuz'micheva, G.M.; Panyutin, V.L.; Marenkin, S.F.; Rybakov, V.B.; Shevyrdyaeva, G.S.; Shcherbakov, S.I.; Chizhikov, V.I. Preparation and structure of Ag Ga1-x Inx Se2 single crystals Neorganicheskie Materialy 39 (2003) 1193-1199 Space group: I -4 2 d Cell volume: 395.713 Cell parameters: 5.9889; 5.9889; 11.0328; 90; 90; 90;

COD ID: 1509348
CIF file	Formula: - Ag Ga S2 - Comments: Meyer, A.D.; Klingler, W.; Stoerger, G.; Hahn, H.; Frank, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 338.396 Cell parameters: 5.743; 5.743; 10.26; 90; 90; 90;

COD ID: 1509351
CIF file	Formula: - Ag Ga Se2 - Comments: Stoerger, G.; Hahn, H.; Klingler, W.; Meyer, A.D.; Frank, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 388.163 Cell parameters: 5.973; 5.973; 10.88; 90; 90; 90;

COD ID: 1509352
CIF file	Formula: - Ag Ga Se2 - Comments: Bodnar', I.V.; Orlova, N.S. X-ray evidence on thermal-expansion anisotropy in Ag Ga Se2 at 80-650 K Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 23 (1987) 758-761 Space group: I -4 2 d Cell volume: 390.757 Cell parameters: 5.9921; 5.9921; 10.883; 90; 90; 90;

COD ID: 1509353
CIF file	Formula: - Ag Ga Se4 Sn - Comments: Rivera, A.V.; Lopez-Rivera, A.; Gomez, C.D.; de Gil, E.R. X-Ray Crystal Structure of the Quaternary Semiconductor Compound: Ag Ga Sn Se4 Progress in Crystal Growth and Characterization 10 (1985) 217-223 Space group: I -4 2 d Cell volume: 370.667 Cell parameters: 5.853; 5.853; 10.82; 90; 90; 90;

COD ID: 1509354
CIF file	Formula: - Ag Ga Te2 - Comments: Frank, G.; Klingler, W.; Hahn, H.; Stoerger, G.; Meyer, A.D. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 472.095 Cell parameters: 6.288; 6.288; 11.94; 90; 90; 90;

COD ID: 1509400
CIF file	Formula: - Ag In S2 - Comments: Meyer, A.D.; Klingler, W.; Frank, G.; Stoerger, G.; Hahn, H. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 377.835 Cell parameters: 5.816; 5.816; 11.17; 90; 90; 90;

COD ID: 1509402
CIF file	Formula: - Ag In S2 - Comments: Rozhdestvenskaya, I.V.; Rud', Yu.V.; Vaipolin, A.A. Interatomic interaction aspect of phase transition in Ag In S2 crystals Crystal Research and Technology 23 (1988) 337-341 Space group: I -4 2 d Cell volume: 386.638 Cell parameters: 5.876; 5.876; 11.198; 90; 90; 90;

COD ID: 1509404
CIF file	Formula: - Ag In S2 - Comments: Orlova, N.S.; Bodnar', I.V. X-ray study of the thermal expansion anisotropy in Ag Ga S2 and Ag In S2 compounds over the temperature range from 80 to 650 K Physica Status Solidi, Sectio A: Applied Research 91 (1985) 503-507 Space group: I -4 2 d Cell volume: 380.434 Cell parameters: 5.8288; 5.8288; 11.1975; 90; 90; 90;

COD ID: 1509408
CIF file	Formula: - Ag In Se2 - Comments: Lerner, L.S. Cu Ga Se2 and Ag In Se2: Preparation and properties of single crystals Journal of Physics and Chemistry of Solids 27 (1966) 1-8 Space group: I -4 2 d Cell volume: 431.989 Cell parameters: 6.092; 6.092; 11.64; 90; 90; 90;

COD ID: 1509409
CIF file	Formula: - Ag In Se2 - Comments: Lesueur, R.; Djega-Mariadassou, C.; Benoit, P.; Charpin, P. Crystal structure of chalcopyrite Ag In Se2 Japanese Journal of Applied Physics 19 (1980) 85-88 Space group: I -4 2 d Cell volume: 436.339 Cell parameters: 6.1038; 6.1038; 11.7118; 90; 90; 90;

COD ID: 1509412
CIF file	Formula: - Ag In Te2 - Comments: Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S. Preparation and charecterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science. Letters 5 (1986) 912-914 Space group: I -4 2 d Cell volume: 528.375 Cell parameters: 6.4672; 6.4672; 12.6331; 90; 90; 90;

COD ID: 1509413
CIF file	Formula: - Ag In Te2 - Comments: Meyer, A.D.; Klingler, W.; Stoerger, G.; Frank, G.; Hahn, H. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 515.423 Cell parameters: 6.406; 6.406; 12.56; 90; 90; 90;

COD ID: 1509414
CIF file	Formula: - Ag In1.03 Te1.972 - Comments: Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B. Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method Crystal Research and Technology 39 (2004) 266-273 Space group: I -4 2 d Cell volume: 524.531 Cell parameters: 6.44296; 6.44296; 12.63572; 90; 90; 90;

COD ID: 1509597
CIF file	Formula: - Ag1.5 Cu0.5 In2 Te4 - Comments: Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S. Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science 5 (1986) 912-914 Space group: I -4 2 d Cell volume: 514.02 Cell parameters: 6.3879; 6.3879; 12.5969; 90; 90; 90;

COD ID: 1511409
CIF file	Formula: - B14 Li3 - Comments: Mair, G.; Nesper, R.; von Schnering, H.G. Trilithium tetradecaboride Li3 B14: Synthesis, structure and properties Journal of Solid State Chemistry 75 (1988) 30-40 Space group: I -4 2 d Cell volume: 1036.63 Cell parameters: 10.764; 10.764; 8.947; 90; 90; 90;

COD ID: 1512583
CIF file	Formula: - C100 H96 N8 O8 Pt - Comments: Zems, Yaroslav; Moiseev, Andrey G.; Perepichka, Dmitrii F. Convenient Synthesis of a Highly Soluble and Stable Phosphorescent Platinum Porphyrin Dye Organic Letters 15(20) (2013) 5330 Space group: I -4 2 d Cell volume: 10728.2 Cell parameters: 21.2352; 21.2352; 23.791; 90; 90; 90;

COD ID: 1514556
CIF file	Formula: - C102 H94 B2 Fe2 O P6 - Comments: Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C–O cleavage versus C–C coupling Chemical Science 4(10) (2013) 4042 Space group: I -4 2 d Cell volume: 18556.4 Cell parameters: 33.2834; 33.2834; 16.7509; 90; 90; 90;

COD ID: 1515078
CIF file	Formula: - C34.71 H20 O8 Zn1.71 - Comments: Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science 3(10) (2012) 3032 Space group: I -4 2 d Cell volume: 45968.7 Cell parameters: 36.3615; 36.3615; 34.7679; 90; 90; 90;

COD ID: 1515472
CIF file	Formula: - C264 H288 N16 S4 Zn4 - Comments: Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60 Chemical Science 2(4) (2011) 748 Space group: I -4 2 d Cell volume: 38580 Cell parameters: 41.392; 41.392; 22.518; 90; 90; 90;

COD ID: 1517802
CIF file	Formula: - C O2 - Comments: Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Ninet, Sandra Structure of Polymeric Carbon Dioxide CO~2~-V Physical Review Letters 108(12) (2012) 125701 Space group: I -4 2 d Cell volume: 74.662 Cell parameters: 3.5518; 3.5518; 5.9184; 90; 90; 90;

COD ID: 1518158
CIF file	Formula: - Cs2 Fe4 Na10 O12 - Comments: Luge, R.; Hoppe, R. Neue oxoferrate(III) der alkalimetalle: Cs2Na10[(FeO3)4] Revue de Chimie Minerale 23 (1986) 201-216 Space group: I -4 2 d Cell volume: 1696 Cell parameters: 9.182; 9.182; 20.117; 90; 90; 90;

COD ID: 1521371
CIF file	Formula: - Cu0.978 In Se1.988 - Comments: Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D. Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2 Advanced Materials 12(5) (2000) 366-370 Space group: I -4 2 d Cell volume: 391.177 Cell parameters: 5.7955; 5.7955; 11.6464; 90; 90; 90;

COD ID: 1521373
CIF file	Formula: - Cu0.974 In Se1.989 - Comments: Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D. Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2 Advanced Materials 12(5) (2000) 366-370 Space group: I -4 2 d Cell volume: 389.488 Cell parameters: 5.7877; 5.7877; 11.6274; 90; 90; 90;

COD ID: 1521907
CIF file	Formula: - Cl10 Pd3 Tl4 - Comments: Schuepp, B.; Keller, H.L. Tl4 Pd3 Cl10 - eine Verbindung mit neuartiger ((Pd Cl2 Cl2/2)4)(4-) Baugruppe Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 241-246 Space group: I -4 2 d Cell volume: 3601.49 Cell parameters: 15.956; 15.956; 14.146; 90; 90; 90;

COD ID: 1523946
CIF file	Formula: - C24 H40 N4 O4 Si - Comments: Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S. Polyamide 6/silica hybrid materials by a coupled polymerization reaction Polym. Chem. 6(35) (2015) 6297 Space group: I -4 2 d Cell volume: 2601.96 Cell parameters: 13.9688; 13.9688; 13.3347; 90; 90; 90;

COD ID: 1526097
CIF file	Formula: - Cu0.98 In0.98 Se2 - Comments: Gladkikh, L.I.; Rogacheva, E.I.; Tavrina, T.V.; Fomina, L.P. X-ray diffraction study of nonstoichiometry in Cu In Se2+d Neorganicheskie Materialy 36 (2000) 1309-1312 Space group: I -4 2 d Cell volume: 388.27 Cell parameters: 5.7815; 5.7815; 11.6159; 90; 90; 90;

COD ID: 1526099
CIF file	Formula: - Cu0.961 In0.961 Se2 - Comments: Gladkikh, L.I.; Tavrina, T.V.; Rogacheva, E.I.; Fomina, L.P. X-ray diffraction study of nonstoichiometry in Cu In Se2+d Neorganicheskie Materialy 36 (2000) 1309-1312 Space group: I -4 2 d Cell volume: 388.377 Cell parameters: 5.7818; 5.7818; 11.6179; 90; 90; 90;

COD ID: 1526104
CIF file	Formula: - As0.474 H6 N O4 P0.526 - Comments: Naili, H.; Mhiri, T.; Daoud, A. Structural, vibrational and calorimetric study of a new ammonium dihydrogen phosphate-arsenate: N H4 H2 (P O4)0.52 (As O4)0.48 International Journal of Inorganic Materials 4 (2001) 393-400 Space group: I -4 2 d Cell volume: 439.551 Cell parameters: 7.592; 7.592; 7.626; 90; 90; 90;

COD ID: 1526323
CIF file	Formula: - Cu In Se Te - Comments: Rashmi; Suri, D.K. X-ray powder diffraction study of Cu In Se Te Powder Diffraction 15 (2000) 65-68 Space group: I -4 2 d Cell volume: 429.377 Cell parameters: 5.987; 5.987; 11.979; 90; 90; 90;

COD ID: 1526422
CIF file	Formula: - As H2 K O4 - Comments: Ichikawa, M.; Amasaki, D.; Olovsson, I.; Gustafsson, T. X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4 Journal of the Physical Society of Japan 70 (2001) 2327-2332 Space group: I -4 2 d Cell volume: 409.608 Cell parameters: 7.5973; 7.5973; 7.0966; 90; 90; 90;

COD ID: 1526423
CIF file	Formula: - As D2 K O4 - Comments: Ichikawa, M.; Amasaki, D.; Gustafsson, T.; Olovsson, I. X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4 Journal of the Physical Society of Japan 70 (2001) 2327-2332 Space group: I -4 2 d Cell volume: 413.605 Cell parameters: 7.6237; 7.6237; 7.1163; 90; 90; 90;

COD ID: 1526844
CIF file	Formula: - Ga7.98 K7.48 O46.32 Si12.02 - Comments: Lee, Y.-J.; Kim, S.-J.; Parise, J.B. Synthesis and crystal structures of gallium- and germanium variants of the fibrous zeolites with the NAT, EDI and THO structure types Microporous and Mesoporous Materials 34 (2000) 255-271 Space group: I -4 2 d Cell volume: 1217.52 Cell parameters: 13.639; 13.639; 6.545; 90; 90; 90;

COD ID: 1527430
CIF file	Formula: - As2 Co3 O8 - Comments: Gopal, R.; Rutherford, J.S.; Robertson, B.E. Closest Packing in Dense Oxides: The Structure of a Polymorph of Co3 (As O4)2 Journal of Solid State Chemistry 32 (1980) 29-40 Space group: I -4 2 d Cell volume: 887.591 Cell parameters: 6.858; 6.858; 18.872; 90; 90; 90;

COD ID: 1528769

Formula: - Cd0.06 Cu0.97 In0.97 Se2 -
Comments: Olekseyuk, I.D.; Parasyuk, O.V.; Piskach, L.V.; Dzham, O.A. The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I. The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal structure of solid solutions Journal of Solid State Chemistry 179 (2006) 315-322
Space group: I -4 2 d
Cell volume: 374.658
Cell parameters: 5.7931; 5.7931; 11.16383; 90; 90; 90;

COD ID: 1528803
CIF file	Formula: - Ge S2 - Comments: Prewitt, C.T.; Young, H.S. Germanium and silicon disulfides: Structure and synthesis Science 149 (1965) 535-537 Space group: I -4 2 d Cell volume: 274.568 Cell parameters: 5.48; 5.48; 9.143; 90; 90; 90;

COD ID: 1528804
CIF file	Formula: - S2 Si - Comments: Prewitt, C.T.; Young, H.S. Germanium and silicon disulfides: Structure and synthesis Science 149 (1965) 535-537 Space group: I -4 2 d Cell volume: 256.103 Cell parameters: 5.42; 5.42; 8.718; 90; 90; 90;

COD ID: 1528916
CIF file	Formula: - F5 U - Comments: Taylor, J.C.; Waugh, A.B. Neutron diffraction study of beta-uranium pentafluoride between 77 and 403 K Journal of Solid State Chemistry 35 (1980) 137-140 Space group: I -4 2 d Cell volume: 685.528 Cell parameters: 11.473; 11.473; 5.208; 90; 90; 90;

COD ID: 1529512
CIF file	Formula: - B2 Cu O4 - Comments: Abdullaev, G.K.; Mamedov, H.S. The refinement of the crystal structure of copper metaborate Cu B2 O4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 22 (1981) 184-187 Space group: I -4 2 d Cell volume: 747.198 Cell parameters: 11.506; 11.506; 5.644; 90; 90; 90;

COD ID: 1530077
CIF file	Formula: - As Cs D2 O4 - Comments: Hay, W.J.; Nelmes, R.J. Structural studies of deuterated Cs H2 As O4 in its paraelectric and ferroelectric phases Journal of Physics C 14 (1981) 1043-1052 Space group: I -4 2 d Cell volume: 502.627 Cell parameters: 7.982; 7.982; 7.889; 90; 90; 90;

COD ID: 1530147
CIF file	Formula: - H2 O4 P Rb - Comments: Kennedy, N.S.J.; Nelmes, R.J. Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases Journal of Physics C 13 (1980) 4841-4853 Space group: I -4 2 d Cell volume: 422.367 Cell parameters: 7.607; 7.607; 7.299; 90; 90; 90;

COD ID: 1530205
CIF file	Formula: - O7 P2 V - Comments: Krasnikov, V.V.; Konstant, Z.A. Crystal structure of beta-V O (P O3)2 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 15 (1979) 2164-2167 Space group: I -4 2 d Cell volume: 514.282 Cell parameters: 10.99; 10.99; 4.258; 90; 90; 90;

COD ID: 1530416
CIF file	Formula: - H2 K O4 P - Comments: Meyer, G.M.; Vettier, C.; Nelmes, R.J. A single-crystal neutron-diffraction study of the crystal structure of tetragonal K H2 P O4 at high pressure (14 kbar) Journal of Physics C 13 (1980) 4035-4051 Space group: I -4 2 d Cell volume: 375.782 Cell parameters: 7.34; 7.34; 6.975; 90; 90; 90;

COD ID: 1530643
CIF file	Formula: - H2 O4 P Rb - Comments: Rez, I.S.; Pakhomov, V.I.; Sil'nitskaya, G.B.; Fedorov, P.M. Some problems of the crystal chemistry of the crystals of the type K H2 P O4 Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya 31 (1967) 1082-1085 Space group: I -4 2 d Cell volume: 422.305 Cell parameters: 7.608; 7.608; 7.296; 90; 90; 90;

COD ID: 1530664
CIF file	Formula: - H2 O4 P Rb - Comments: Rusakov, A.A.; Kheiker, D.M. Refinement of the structure of Rb H2 P O4 at room temperature Kristallografiya 23 (1978) 409-411 Space group: I -4 2 d Cell volume: 423.019 Cell parameters: 7.616; 7.616; 7.293; 90; 90; 90;

COD ID: 1530876
CIF file	Formula: - D2 K O4 P - Comments: Tibballs, J.E.; Nelmes, R.J.; McIntyre, G.J. The crystal structure of tetragonal K H2 P O4 and K D2 P O4 as a function of temperature and pressure Journal of Physics C 15 (1982) 37-58 Space group: I -4 2 d Cell volume: 389.163 Cell parameters: 7.469; 7.469; 6.976; 90; 90; 90;

COD ID: 1532036
CIF file	Formula: - Cu0.89 In0.89 S2 Zn0.22 - Comments: Parasyuk, O.V.; Voronyuk, S.V.; Gulay, L.D.; Davidyuk, G.E.; Halka, V.O. Phase diagram of the (Cu In S2) - (Zn S) system and some physical properties of solid solutions phases Journal of Alloys Compd. 348 (2003) 57-64 Space group: I -4 2 d Cell volume: 337.442 Cell parameters: 5.5119; 5.5119; 11.107; 90; 90; 90;

COD ID: 1532948
CIF file	Formula: - Cu1.05 In1.03 Te1.92 - Comments: Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B. Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method Crystal Research and Technology 39 (2004) 266-273 Space group: I -4 2 d Cell volume: 476.453 Cell parameters: 6.19288; 6.19288; 12.42323; 90; 90; 90;

COD ID: 1533720
CIF file	Formula: - As Cs0.5 D2 O4 - Comments: Hay, W.J.; Nelmes, R.J. Structural studies of Cs D2 As O4 in the paraelectric phase and the ferroelectric phase Ferroelectrics 14 (1976) 599-600 Space group: I -4 2 d Cell volume: 503.06 Cell parameters: 7.99; 7.99; 7.88; 90; 90; 90;

COD ID: 1534573
CIF file	Formula: - K11 P13 S52 U7 - Comments: Gieck, C.; Tremel, W. Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb) Chemistry - A European Journal 8 (2002) 2980-2987 Space group: I -4 2 d Cell volume: 17789.9 Cell parameters: 32.0481; 32.0481; 17.3208; 90; 90; 90;

COD ID: 1534576
CIF file	Formula: - P13 Rb11 S52 U7 - Comments: Gieck, C.; Tremel, W. Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb) Chemistry - A European Journal 8 (2002) 2980-2987 Space group: I -4 2 d Cell volume: 18336.4 Cell parameters: 32.1641; 32.1641; 17.7244; 90; 90; 90;

COD ID: 1534662
CIF file	Formula: - H N2 P - Comments: Schnick, W.; Luecke, J. Darstellung, Kristallstruktur und IR-spektroskopische Untersuchung von Phosphor(V)-nitrid-imid, HPN2 Zeitschrift fuer Anorganische und Allgemeine Chemie 610 (1992) 121-126 Space group: I -4 2 d Cell volume: 149.729 Cell parameters: 4.6182; 4.6182; 7.0204; 90; 90; 90;

COD ID: 1534854
CIF file	Formula: - P Rb0.46 S6 Ta - Comments: Gutzmann, A.; Naether, C.; Bensch, W. Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase Solid State Sciences 6 (2004) 1155-1162 Space group: I -4 2 d Cell volume: 3317.72 Cell parameters: 15.8802; 15.8802; 13.1561; 90; 90; 90;

COD ID: 1535813
CIF file	Formula: - As H2 K O4 - Comments: Ilyukhin, A.B.; Katser, S.B.; Levin, A.A. Structure refinement of two crystals from the KDP family (N D4) D2 P O4 and K H2 As O4 in the paraphase. Zhurnal Neorganicheskoi Khimii 40 (1995) 1599-1600 Space group: I -4 2 d Cell volume: 416.527 Cell parameters: 7.628; 7.628; 7.1585; 90; 90; 90;

COD ID: 1536887
CIF file	Formula: - Al2 H4 Na2 O12 Si3 - Comments: Rastsvetaeva, R.K. Crystal structure of maximum - ordered tetranatrolite Na2(Si(Si0.5 Al0.5)4 O10) 2(H2 O) Kristallografiya 40 (1995) 812-815 Space group: I -4 2 d Cell volume: 1124.03 Cell parameters: 13.07; 13.07; 6.58; 90; 90; 90;

COD ID: 1537232
CIF file	Formula: - N2 Na P - Comments: Landskron, K.; Schmid, S.; Schnick, W. Hochdruck-Synthese, Kristallstruktur und Eigenschaften von Na P N2 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2469-2472 Space group: I -4 2 d Cell volume: 172.459 Cell parameters: 4.9721; 4.9721; 6.976; 90; 90; 90;

COD ID: 1538449
CIF file	Formula: - Cl2 Zn - Comments: Oswald, H.R.; Jaggi, H. Zur Struktur der wasserfreien Zinkhalogenide. I. Die wasserfreien Zinkchloride Helvetica Chimica Acta 43 (1960) 72-77 Space group: I -4 2 d Cell volume: 301 Cell parameters: 5.398; 5.398; 10.33; 90; 90; 90;

COD ID: 1539402
CIF file	Formula: - Li Mg4 O12 V3 - Comments: Tyutyunnik, A.P.; Zubkov, V.G.; Surat, L.L.; Slobodin, B.V. Synthesis and crystal structure of Li Mg4 (V O4)3 Zhurnal Neorganicheskoi Khimii 49 (2004) 610-616 Space group: I -4 2 d Cell volume: 893.831 Cell parameters: 6.86707; 6.86707; 18.9545; 90; 90; 90;

COD ID: 1539501
CIF file	Formula: - Mg P2 Si - Comments: Springthorpe, A.J.; Harrison, J.G. Mg Si P2: a new member of the II IV V2 family of semiconducting compounds Nature (London) 222 (1969) 977-977 Space group: I -4 2 d Cell volume: 330.408 Cell parameters: 5.721; 5.721; 10.095; 90; 90; 90;

COD ID: 1539762
CIF file	Formula: - H2 K O4 P - Comments: Endo, S.; Chino, T.; Tsuboi, S.; Koto, K. Pressure-induced transition of the hydrogen bond in the ferroelectric compounds K H2 P O4 and K D2 P O4 Nature (London) 340 (1989) 452-455 Space group: I -4 2 d Cell volume: 360.562 Cell parameters: 7.278; 7.278; 6.807; 90; 90; 90;

COD ID: 1539803
CIF file	Formula: - As H6 N O4 - Comments: Fukami, T. X-ray study of crystal structure of (N H4) H2 As O4 in the paraelectric and antiferroelectric phases Physica Status Solidi, Sectio A: Applied Research 121 (1990) 383-389 Space group: I -4 2 d Cell volume: 457.66 Cell parameters: 7.702; 7.702; 7.715; 90; 90; 90;

COD ID: 1540914
CIF file	Formula: - Li N2 P - Comments: Schnick, W.; Luecke, J. Zur Kenntnis von Lithium-phosphor(V)-nitrid. Reindarstellung und Verfeinerung der Kristallstruktur von Li P N2 Zeitschrift fuer Anorganische und Allgemeine Chemie 588 (1990) 19-25 Space group: I -4 2 d Cell volume: 148.984 Cell parameters: 4.575; 4.575; 7.118; 90; 90; 90;

COD ID: 1541282
CIF file	Formula: - Mg4 Na O12 V3 - Comments: Murashova, E.V.; Velikodnyi, Yu.A.; Trunov, V.K. Crystal structure of Na Mg4 (V O4)3 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 29 (1988) 182-184 Space group: I -4 2 d Cell volume: 915.832 Cell parameters: 6.89; 6.89; 19.292; 90; 90; 90;

COD ID: 1542070
CIF file	Formula: - Ga3.3 Ge0.7 S8 - Comments: Zheng Nanfeng; Bu Xianhui; Feng Pingyun; Wang Bing Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2408.76 Cell parameters: 11.1414; 11.1414; 19.405; 90; 90; 90;

COD ID: 1542072
CIF file	Formula: - Ga2 Ge2 N2.88 S8 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2506.68 Cell parameters: 11.5128; 11.5128; 18.912; 90; 90; 90;

COD ID: 1542073
CIF file	Formula: - Ga2.316 S8 Sn1.684 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2719.88 Cell parameters: 11.6915; 11.6915; 19.898; 90; 90; 90;

COD ID: 1542075
CIF file	Formula: - Ga2.46 Se8 Sn1.54 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 3232.33 Cell parameters: 12.5373; 12.5373; 20.564; 90; 90; 90;

COD ID: 1542077
CIF file	Formula: - Ge2.164 In1.836 S8 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2650.91 Cell parameters: 11.5313; 11.5313; 19.936; 90; 90; 90;

COD ID: 1542079
CIF file	Formula: - Ge2.28 In1.72 S8 - Comments: Zheng Nanfeng; Feng Pingyun; Wang Bing; Bu Xianhui Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2645.7 Cell parameters: 11.4416; 11.4416; 20.21; 90; 90; 90;

COD ID: 1542190
CIF file	Formula: - Ga2 Ge2 S8 - Comments: Zheng Nanfeng; Bu Xianhui; Wang Bing; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2447.53 Cell parameters: 11.2864; 11.2864; 19.214; 90; 90; 90;

COD ID: 1542192
CIF file	Formula: - Ga2 Ge2 S8 - Comments: Zheng Nanfeng; Wang Bing; Bu Xianhui; Feng Pingyun Microporous and photoluminescent chalcogenide zeolite analogs Science 298 (2002) 2366-2369 Space group: I -4 2 d Cell volume: 2666.12 Cell parameters: 11.599; 11.599; 19.817; 90; 90; 90;

COD ID: 1542201
CIF file	Formula: - Al Cu S2 - Comments: Hahn, H.; Klingler, W.; Frank, G.; Stoerger, G.; Meyer, A.D. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 294.025 Cell parameters: 5.312; 5.312; 10.42; 90; 90; 90;

COD ID: 1542202
CIF file	Formula: - Al Cu Se2 - Comments: Hahn, H.; Meyer, A.D.; Frank, G.; Klingler, W.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 344.597 Cell parameters: 5.617; 5.617; 10.922; 90; 90; 90;

COD ID: 1542203
CIF file	Formula: - Al Cu Te2 - Comments: Hahn, H.; Stoerger, G.; Frank, G.; Klingler, W.; Meyer, A.D. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 421.551 Cell parameters: 5.976; 5.976; 11.804; 90; 90; 90;

COD ID: 1542204
CIF file	Formula: - Cu Ga Te2 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 427.903 Cell parameters: 5.994; 5.994; 11.91; 90; 90; 90;

COD ID: 1542205
CIF file	Formula: - Cu In S2 - Comments: Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 336.636 Cell parameters: 5.517; 5.517; 11.06; 90; 90; 90;

COD ID: 1542206
CIF file	Formula: - Cu In Se2 - Comments: Hahn, H.; Stoerger, G.; Frank, G.; Meyer, A.D.; Klingler, W. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 384.933 Cell parameters: 5.773; 5.773; 11.55; 90; 90; 90;

COD ID: 1542207
CIF file	Formula: - Cu In Te2 - Comments: Hahn, H.; Stoerger, G.; Klingler, W.; Frank, G.; Meyer, A.D. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 469.314 Cell parameters: 6.167; 6.167; 12.34; 90; 90; 90;

COD ID: 1542208
CIF file	Formula: - Cu S2 Tl - Comments: Hahn, H.; Frank, G.; Klingler, W.; Meyer, A.D.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 349.885 Cell parameters: 5.591; 5.591; 11.193; 90; 90; 90;

COD ID: 1542209
CIF file	Formula: - Cu Se2 Tl - Comments: Hahn, H.; Klingler, W.; Frank, G.; Meyer, A.D.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 396.953 Cell parameters: 5.844; 5.844; 11.623; 90; 90; 90;

COD ID: 1542210
CIF file	Formula: - Ag In Se2 - Comments: Hahn, H.; Frank, G.; Meyer, A.D.; Klingler, W.; Stoerger, G. Ueber einige ternaere Chalkogenide mit Chalkopyritstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 271 (1953) 153-170 Space group: I -4 2 d Cell volume: 432.818 Cell parameters: 6.09; 6.09; 11.67; 90; 90; 90;

COD ID: 1545059
CIF file	Formula: - As H6 N O4 - Comments: Fukami, Takanori Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature Journal of the Physical Society of Japan 58 (1989) 3429-3430 Space group: I -4 2 d Cell volume: 454 Cell parameters: 7.674; 7.674; 7.709; 90; 90; 90;

COD ID: 1546349

Formula: - C44 H8 F20 N4 Ni -
Comments: Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands Chem. Sci. (2017)
Space group: I -4 2 d
Cell volume: 3634.6
Cell parameters: 15.4001; 15.4001; 15.3253; 90; 90; 90;

COD ID: 1550332
CIF file	Formula: - C4.32 H2.64 Ca O5 - Comments: Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen Molecular sieving of ethylene from ethane using a rigid metal-organic framework Nature Materials 17 (2018) 1128-1133 Space group: I -4 2 d Cell volume: 1423.48 Cell parameters: 13.61515; 13.61515; 7.67903; 90; 90; 90;

COD ID: 1550333
CIF file	Formula: - C4.4 H2.8 Ca O5 - Comments: Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen Molecular sieving of ethylene from ethane using a rigid metal-organic framework Nature Materials 17 (2018) 1128-1133 Space group: I -4 2 d Cell volume: 1428.8 Cell parameters: 13.6335; 13.6335; 7.6869; 90; 90; 90;

COD ID: 1550334
CIF file	Formula: - C4 H2 Ca O5 - Comments: Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen Molecular sieving of ethylene from ethane using a rigid metal-organic framework Nature Materials 17 (2018) 1128-1133 Space group: I -4 2 d Cell volume: 1439.13 Cell parameters: 13.6557; 13.6557; 7.7174; 90; 90; 90;

COD ID: 1550335
CIF file	Formula: - C4 Ca O6 - Comments: Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen Molecular sieving of ethylene from ethane using a rigid metal-organic framework Nature Materials 17 (2018) 1128-1133 Space group: I -4 2 d Cell volume: 1416.6 Cell parameters: 13.575; 13.575; 7.687; 90; 90; 90;

COD ID: 1550978
CIF file	Formula: - C187.23 H315.27 B8 Fe4 K4 N20 O11.62 - Comments: Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K. Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides Chemical Science (2019) Space group: I -4 2 d Cell volume: 14650 Cell parameters: 26.45; 26.45; 20.941; 90; 90; 90;

COD ID: 1557466

Formula: - C48 H16 Co3 O24 -
Comments: Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries. Nanoscale 12(6) (2020) 3750-3762
Space group: I -4 2 d
Cell volume: 7696.8
Cell parameters: 28.0519; 28.0519; 9.7811; 90; 90; 90;

COD ID: 1559303

Formula: - C87 H95 B2 Cl F10 O4 S4 -
Comments: Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices Chemical Science (2020)
Space group: I -4 2 d
Cell volume: 32923
Cell parameters: 48.916; 48.916; 13.7593; 90; 90; 90;

COD ID: 1561333
CIF file	Formula: - In2.67 S8 Sb1.33 - Comments: Lampkin, John D.; Powell, Anthony V.; Chippindale, Ann M. Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H1.33tren)[In2.67Sb1.33S8]·tren Journal of Solid State Chemistry 243 (2016) 44-49 Space group: I -4 2 d Cell volume: 3098.2 Cell parameters: 12.6248; 12.6248; 19.4387; 90; 90; 90;

COD ID: 1561367

Formula: - B Ba O8 P2 Rb -
Comments: Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity Journal of Solid State Chemistry 243 (2016) 259-266
Space group: I -4 2 d
Cell volume: 759.7
Cell parameters: 7.281; 7.281; 14.33; 90; 90; 90;

COD ID: 1561803

Formula: - Nb O6 Rb W -
Comments: Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam; Sikora, Wiesława; Majchrowski, Andrzej Modal disorder and phase transition in Rb0.91Nb0.96W1.04O5.98. Interpretation of X-ray diffuse scattering using the group theory approach Journal of Solid State Chemistry 230 (2015) 325-336
Space group: I -4 2 d
Cell volume: 553.93
Cell parameters: 7.3108; 7.3108; 10.364; 90; 90; 90;

COD ID: 1562367
CIF file	Formula: - C5 H12 N2 - Comments: Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z. Homopiperazine (Hexahydro-1,4-diazepine) Molbank 2021(2) (2021) M1200 Space group: I -4 2 d Cell volume: 1199.9 Cell parameters: 7.208; 7.208; 23.094; 90; 90; 90;

COD ID: 1563130
CIF file	Formula: - Mn3 O8 V2 - Comments: Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp New phases in the system LiMnVO4–Mn3(VO4)2 Journal of Solid State Chemistry 184(10) (2011) 2640-2647 Space group: I -4 2 d Cell volume: 967.221 Cell parameters: 7.0073; 7.0073; 19.6981; 90; 90; 90;

COD ID: 1563481

Formula: - Cu In Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 d
Cell volume: 388.738
Cell parameters: 5.78361; 5.78361; 11.6214; 90; 90; 90;

COD ID: 1563482

Formula: - Cu Ga0.21 In0.79 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se–In2Se3–Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 d
Cell volume: 380.16
Cell parameters: 5.7478; 5.7478; 11.507; 90; 90; 90;

COD ID: 1563483

Formula: - Cu Ga0.482 In0.518 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 d
Cell volume: 367.783
Cell parameters: 5.697; 5.697; 11.3318; 90; 90; 90;

COD ID: 1563484

Formula: - Cu Ga0.82 In0.18 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 d
Cell volume: 355.904
Cell parameters: 5.6501; 5.6501; 11.1486; 90; 90; 90;

COD ID: 1563485

Formula: - Cu Ga Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 d
Cell volume: 348.138
Cell parameters: 5.6191; 5.6191; 11.026; 90; 90; 90;

COD ID: 1564977
CIF file	Formula: - C21 H8 Cu2 I2 N4 O7 Tb - Comments: Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks Inorganica Chimica Acta 506 (2020) 119536 Space group: I -4 2 d Cell volume: 5827.2 Cell parameters: 25.3399; 25.3399; 9.075; 90; 90; 90;

COD ID: 1564978
CIF file	Formula: - C21 H8 Cu2 Dy I2 N4 O7 - Comments: Shi, Ying; Ren, Xiao-Yang; Gao, Man; Hou, Yin-Ling; Ji, Jia; Wu, Zhi-Lei; Wang, Wen-Min Luminescent and magnetic properties of two copper iodide cluster based lanthanide organic frameworks Inorganica Chimica Acta 506 (2020) 119536 Space group: I -4 2 d Cell volume: 5834.28 Cell parameters: 25.367; 25.367; 9.0667; 90; 90; 90;

COD ID: 1566646
CIF file	Formula: - D2 O - Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure of a new phase of ice Nature 391 (1998) 268 Space group: I -4 2 d Cell volume: 277.481 Cell parameters: 8.304; 8.304; 4.024; 90; 90; 90;

COD ID: 1568223
CIF file	Formula: - Mg P2 Si - Comments: Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning Uncovering a Vital Band Gap Mechanism of Pnictides. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 9(14) (2022) e2105787 Space group: I -4 2 d Cell volume: 329.1 Cell parameters: 5.7156; 5.7156; 10.074; 90; 90; 90;

COD ID: 1569535
CIF file Original IUCr paper	Formula: - C34 H76 Cl8 Mn N2 - Comments: Hay, Michael T.; Yennawar, Hemant P. Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate IUCrData 8(7) (2023) x230610 Space group: I -4 2 d Cell volume: 4825.4 Cell parameters: 14.0775; 14.0775; 24.3492; 90; 90; 90;

COD ID: 1569689

Formula: - C56 H32 Fe2 N24 W -
Comments: Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid Guest-induced pore breathing controls the spin state in a cyanido-bridged framework. Chemical science 14(36) (2023) 9651-9663
Space group: I -4 2 d
Cell volume: 5501.2
Cell parameters: 18.8695; 18.8695; 15.4503; 90; 90; 90;

COD ID: 1569690

Formula: - C56 H32 Fe2 N24 W -
Comments: Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid Guest-induced pore breathing controls the spin state in a cyanido-bridged framework. Chemical science 14(36) (2023) 9651-9663
Space group: I -4 2 d
Cell volume: 5827.2
Cell parameters: 19.1966; 19.1966; 15.8129; 90; 90; 90;

COD ID: 1569691

Formula: - C56 H32 Fe2 N24 W -
Comments: Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid Guest-induced pore breathing controls the spin state in a cyanido-bridged framework. Chemical science 14(36) (2023) 9651-9663
Space group: I -4 2 d
Cell volume: 5776
Cell parameters: 19.1481; 19.1481; 15.7535; 90; 90; 90;

COD ID: 1570063

Formula: - C10 H5 B F4 N2 O2 -
Comments: Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes. Chemical science 14(43) (2023) 12133-12142
Space group: I -4 2 d
Cell volume: 2128.92
Cell parameters: 22.1078; 22.1078; 4.3558; 90; 90; 90;

COD ID: 1574627

Formula: - C43 H51 Cl2 Co N3 -
Comments: Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group Polymer Chemistry 16(23) (2025) 2718-2731
Space group: I -4 2 d
Cell volume: 7707
Cell parameters: 22.7671; 22.7671; 14.8686; 90; 90; 90;

COD ID: 1575850

Formula: - C27 H24 B Cl Ir N7 O2 -
Comments: Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J. Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates. Dalton transactions (Cambridge, England : 2003) 54(41) (2025) 15609-15622
Space group: I -4 2 d
Cell volume: 5635.22
Cell parameters: 20.8761; 20.8761; 12.9304; 90; 90; 90;

COD ID: 1575959
CIF file	Formula: - C102 H40 N8 O34 - Comments: Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M. Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains. Chemical science 16(43) (2025) 20570-20579 Space group: I -4 2 d Cell volume: 11298.7 Cell parameters: 28.9569; 28.9569; 13.4749; 90; 90; 90;

COD ID: 2000783

Formula: - C65 H69 F12 N4 P10 Rh2 -
Comments: Tortorelli, L. J.; Woods, C.; Campana, C. F. Structure of the mixed-valence complex [Rh~2~(μ-{(C~6~H~5~)~2~PCH~2~P(C~6~H~5~)~2~})~2~(μ-N~2~C~5~H~7~)(tert-C~4~H~9~NC)~2~](PF~6~)~2~ Acta Crystallographica Section C 48(7) (1992) 1311-1312
Space group: I -4 2 d
Cell volume: 17759
Cell parameters: 21.817; 21.817; 30.658; 90; 90; 90;

COD ID: 2001089
CIF file Original IUCr paper	Formula: - C20 H49 Cl6 N8 O0.5 Zn3 - Comments: Alcock, N. W.; Berry, A.; Moore, P. Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride Acta Crystallographica Section C 48(1) (1992) 16-19 Space group: I -4 2 d Cell volume: 3514.3 Cell parameters: 17.95; 17.95; 10.907; 90; 90; 90;

COD ID: 2002467
CIF file	Formula: - Ba Cu2 O8 V2 - Comments: Vogt, R; Mueller-Buschbaum, Hk Ba Cu2 V2 O8: Eine Variante des Sr Ni2 V2 O8-Typs, mit Cu2+ in 4+1+1- Koordination Zeitschrift fuer Anorganische und Allgemeine Chemie 591 (1990) 167-173 Space group: I -4 2 d Cell volume: 1323.3 Cell parameters: 12.7439; 12.7439; 8.148; 90; 90; 90;

COD ID: 2002524
CIF file	Formula: - Ba0.5 Cu2 O8 Sr0.5 V2 - Comments: Vogt, R; Mueller-Buschbaum, Hk Zur Kenntnis von (Ba0.5 Sr0.5) Cu2 V2 O8 und Ba (Cu Mg) V2 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 602 (1991) 149-154 Space group: I -4 2 d Cell volume: 1308.9 Cell parameters: 12.6501; 12.6501; 8.1796; 90; 90; 90;

COD ID: 2004174
CIF file Original IUCr paper	Formula: - B6 Cs Li O10 - Comments: Sasaki, T.; Mori, Y.; Kuroda, I.; Nakajima, S.; Yamaguchi, K.; Watanabe, S.; Nakai, S. Caesium Lithium Borate: a New Nonlinear Optical Crystal Acta Crystallographica Section C 51(11) (1995) 2222-2224 Space group: I -4 2 d Cell volume: 984.4 Cell parameters: 10.494; 10.494; 8.939; 90; 90; 90;

COD ID: 2005555
CIF file Original IUCr paper	Formula: - C16 H24 Cl2 N8 O8 Zn - Comments: Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y. Tetrakis(1-methylimidazole-<i>N</i>^3^)zinc(II) Diperchlorate Acta Crystallographica Section C 52(10) (1996) 2482-2484 Space group: I -4 2 d Cell volume: 2581.1 Cell parameters: 18.616; 18.616; 7.448; 90; 90; 90;

COD ID: 2007146
CIF file Original IUCr paper	Formula: - C24 H72 Bi I7 N12 O4 P4 - Comments: Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~] Acta Crystallographica Section C 54(4) (1998) 476-479 Space group: I -4 2 d Cell volume: 5794 Cell parameters: 13.775; 13.775; 30.533; 90; 90; 90;

COD ID: 2007954
CIF file Original IUCr paper	Formula: - C12 H48 Cd3 I6 N12 - Comments: Wieczorrek, Carsten; Tebbe, Karl-Friedrich Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid Acta Crystallographica Section C 54(12) (1998) 1804-1807 Space group: I -4 2 d Cell volume: 3861.6 Cell parameters: 15.081; 15.081; 16.979; 90; 90; 90;

COD ID: 2008844
CIF file Original IUCr paper	Formula: - As3 Ni4.35 O12 - Comments: Jacques Barbier Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~ Acta Crystallographica Section C 55(8) (1999) IUC9900080 Space group: I -4 2 d Cell volume: 866.1 Cell parameters: 6.781; 6.781; 18.835; 90; 90; 90;

COD ID: 2009183
CIF file Original IUCr paper	Formula: - C4 H10 Cl4 O2 Ti - Comments: Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J. Tetrachloro(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')titanium(IV) Acta Crystallographica Section C 55(11) (1999) IUC9900137 Space group: I -4 2 d Cell volume: 2135.1 Cell parameters: 9.563; 9.563; 23.347; 90; 90; 90;

COD ID: 2011334

Formula: - C6 H24 I4 N6 Zn -
Comments: Wieczorrek, Carsten Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel Acta Crystallographica Section C 56(9) (2000) 1079-1081
Space group: I -4 2 d
Cell volume: 3866.5
Cell parameters: 14.742; 14.742; 17.791; 90; 90; 90;

COD ID: 2011335

Formula: - C6 H24 I4 N6 Ni -
Comments: Wieczorrek, Carsten Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel Acta Crystallographica Section C 56(9) (2000) 1079-1081
Space group: I -4 2 d
Cell volume: 3820.8
Cell parameters: 14.67; 14.67; 17.754; 90; 90; 90;

COD ID: 2011380

Formula: - C12 H48 N13 Ni2 O3 S4 Sb -
Comments: Schur, Michael; Bensch, Wolfgang Bis[tris(1,2-ethanediamine-N,N')nickel(II)] tetrathioantimonate(V) nitrate Acta Crystallographica Section C 56(9) (2000) 1107-1108
Space group: I -4 2 d
Cell volume: 3194.2
Cell parameters: 10.276; 10.276; 30.249; 90; 90; 90;

COD ID: 2011885

Formula: - C N2 Zn -
Comments: Becker, Michael; Jansen, Martin Zinc cyanamide, Zn(CN~2~) Acta Crystallographica Section C 57(4) (2001) 347-348
Space group: I -4 2 d
Cell volume: 421.17
Cell parameters: 8.8047; 8.8047; 5.4329; 90; 90; 90;

COD ID: 2015431

Formula: - C12 H48 Cd I6 N12 Zn2 -
Comments: Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds Acta Crystallographica Section C 62(7) (2006) m281-m283
Space group: I -4 2 d
Cell volume: 3723.2
Cell parameters: 14.803; 14.803; 16.991; 90; 90; 90;

COD ID: 2017296

Formula: - C40 H29.028 N8 O1.514 -
Comments: Lipstman, Sophia; Goldberg, Israel Unsolvated 5,10,15,20-tetra-4-pyridylporphyrin, its sesquihydrate and its 2-chlorophenol disolvate: conformational versatility of the ligand Acta Crystallographica Section C 65(9) (2009) o447-o452
Space group: I -4 2 d
Cell volume: 3134.39
Cell parameters: 15.2155; 15.2155; 13.5388; 90; 90; 90;

COD ID: 2018539

Formula: - C45 H28 N4 Ni O -
Comments: Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A. An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II) Acta Crystallographica Section C 68(7) (2012) m197-m199
Space group: I -4 2 d
Cell volume: 3199.26
Cell parameters: 15.6514; 15.6514; 13.06; 90; 90; 90;

COD ID: 2018918

Formula: - Cl H2.35 Li0.41 N0.59 O4 -
Comments: Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium Acta Crystallographica Section C 69(4) (2013) 315-318
Space group: I -4 2 d
Cell volume: 423.83
Cell parameters: 7.4946; 7.4946; 7.5457; 90; 90; 90;

COD ID: 2020924

Formula: - Ga Li2 Mo4 O16 Rb3 -
Comments: Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G. Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure Acta Crystallographica Section C 73(11) (2017) 946-952
Space group: I -4 2 d
Cell volume: 1673.88
Cell parameters: 11.8635; 11.8635; 11.8932; 90; 90; 90;

COD ID: 2104742
CIF file Original IUCr paper	Formula: - Cu Fe S2 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: I -4 2 d Cell volume: 291.52 Cell parameters: 5.2888; 5.2888; 10.4221; 90; 90; 90;

COD ID: 2105405
CIF file	Formula: - B2 O4 Pd - Comments: Schmid, H.; Depmeier, W. Palladium metaborate Acta Crystallographica B (24,1968-38,1982) 38 (1982) 605-606 Space group: I -4 2 d Cell volume: 776.27 Cell parameters: 11.672; 11.672; 5.698; 90; 90; 90;

COD ID: 2106232
CIF file	Formula: - H2 O4 P Rb - Comments: Al Kraghouli, A.R.; Abdul-Wahab, B.; Sequeira, A.; Ajaj, E. A precision neutron diffraction study of tetragonal Rb H2 P O4 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1040-1042 Space group: I -4 2 d Cell volume: 424.964 Cell parameters: 7.622; 7.622; 7.315; 90; 90; 90;

COD ID: 2106370
CIF file	Formula: - As2 Mg3 O8 - Comments: Krishnamachari, N.; Calvo, C. Magnesium Arsenate, Mg3 As2 O8 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 2611-2613 Space group: I -4 2 d Cell volume: 872.47 Cell parameters: 6.783; 6.783; 18.963; 90; 90; 90;

COD ID: 2106578
CIF file	Formula: - H4.68 N0.67 O4 P Tl0.33 - Comments: Pepe, G.; Oddon, Y.; Tranquard, A. Dihydrogenoorthophosphate de thallium(I) et d'ammonium (N H4)0.67 Tl0.33 H2 P O4 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2761-2763 Space group: I -4 2 d Cell volume: 421.745 Cell parameters: 7.527; 7.527; 7.444; 90; 90; 90;

COD ID: 2107018
CIF file	Formula: - F4 H2 O Zr - Comments: Kojic-Prodic, B.; Gabela, F.; Ruzic Toros, Z.; Sljukic, M. Structure of Aquatetrafluorozirconium(IV) Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1963-1965 Space group: I -4 2 d Cell volume: 696.712 Cell parameters: 7.724; 7.724; 11.678; 90; 90; 90;

COD ID: 2107193
CIF file	Formula: - Na2 S4 - Comments: Tegman, R. The crystal structure of sodium tetrasulfide, Na2 S4 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1463-1469 Space group: I -4 2 d Cell volume: 1085.64 Cell parameters: 9.5965; 9.5965; 11.7885; 90; 90; 90;

COD ID: 2107330
CIF file	Formula: - F5 U - Comments: Ryan, R.R.; Asprey, L.B.; Penneman, R.A.; Paine, R.T. Single-crystal X-ray study of beta-uranium pentafluoride. The eight coordination of U Acta Crystallographica B (24,1968-38,1982) 32 (1976) 3311-3313 Space group: I -4 2 d Cell volume: 681.791 Cell parameters: 11.456; 11.456; 5.195; 90; 90; 90;

COD ID: 2107376
CIF file	Formula: - Ag Cl2 H36 N9 O12 S8 - Comments: Bigoli, F.; Camellini, T.M.; Tiripicchio, A. Crystal and molecular structure of ennea-ammonium dichloride tetrathiosulfatoargentate, (N H4)9 Cl2 (Ag (S2 O3)4) Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2079-2083 Space group: I -4 2 d Cell volume: 2874.39 Cell parameters: 13.132; 13.132; 16.668; 90; 90; 90;

COD ID: 2108844
CIF file HKL data	Formula: - H8 Mg O8 Te - Comments: Stöger, Berthold; Krüger, Hannes; Weil, Matthias Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement Acta Crystallographica Section B 77(4) (2021) Space group: I -4 2 d Cell volume: 586.886 Cell parameters: 5.3282; 5.3282; 20.6725; 90; 90; 90;

COD ID: 2201015

Formula: - Ag Br2 H36 N9 O12 S8 -
Comments: El Bali, Brahim; Sghyar, Mohamed; Lachkar, Mohammed; Rachid, Ouarsal; Aziz Alaoui, Tahiri; Bolte, Michael Ennea-ammonium dibromide tetra(thiosulfato)argentate Acta Crystallographica Section E 58(5) (2002) i37-i38
Space group: I -4 2 d
Cell volume: 2894.3
Cell parameters: 13.2634; 13.2634; 16.4524; 90; 90; 90;

COD ID: 2201708

Formula: - C24 H52 N2 O6 W -
Comments: Bi, Wenhua; Sun, Daofeng; Cao, Rong; Hong, Maochun Bis(dicyclohexylammonium) tungstate dihydrate, [NH~2~(C~6~H~11~)~2~]~2~[WO~4~]·2H~2~O Acta Crystallographica Section E 58(11) (2002) m611-m612
Space group: I -4 2 d
Cell volume: 2853
Cell parameters: 12.7053; 12.7053; 17.6737; 90; 90; 90;

COD ID: 2203846
CIF file Original IUCr paper	Formula: - As3 Mg4 Na O12 - Comments: Anissa, Haj Abdallah; Brahim, Ayed; Amor, Haddad NaMg~4~(AsO~4~)~3~ Acta Crystallographica, Section E 60(7) (2004) i77-i79 Space group: I -4 2 d Cell volume: 894.2 Cell parameters: 6.817; 6.817; 19.242; 90; 90; 90;

COD ID: 2208255
CIF file Original IUCr paper	Formula: - C46 H88 Br4 Cd N2 - Comments: Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara Bis(tetra-<i>n</i>-butylammonium) tetrabromocadmate(II) toluene disolvate Acta Crystallographica Section E 62(3) (2006) m457-m459 Space group: I -4 2 d Cell volume: 5369.1 Cell parameters: 15.1535; 15.1535; 23.3816; 90; 90; 90;

COD ID: 2212603

Formula: - C10 H8 Br10 N2 Sn -
Comments: Ali, Basem Fares; Al-Far, Rawhi 2,5-Dibromopyridinium hexabromidostannate(IV) Acta Crystallographica Section E 63(3) (2007) m892-m894
Space group: I -4 2 d
Cell volume: 4680.4
Cell parameters: 24.566; 24.566; 7.7555; 90; 90; 90;

COD ID: 2216461

Formula: - C6 H24 Co I4 N6 -
Comments: Du, Jun-Min; Zhang, Zhang-Jin; Lin, Hong-Mei; Li, Wei; Guo, Guo-Cong Tris(1,2-ethanediamine-κ^2^N,N')cobalt(II) triiodide iodide Acta Crystallographica Section E 63(12) (2007) m3206-m3206
Space group: I -4 2 d
Cell volume: 3874
Cell parameters: 14.785; 14.785; 17.7221; 90; 90; 90;

COD ID: 2217292

Formula: - C44 H22 F8 N4 -
Comments: P. Bhyrappa; V. Velkannan; B. Varghese 5,10,15,20-Tetrakis(3,5-difluorophenyl)porphyrin Acta Crystallographica Section E 64(1) (2008) o190-o190
Space group: I -4 2 d
Cell volume: 3329.3
Cell parameters: 15.426; 15.426; 13.991; 90; 90; 90;

COD ID: 2222097

Formula: - C316 H288 N32 O76 Zn16 -
Comments: Shin, Dong Hoon; Han, Sim-Hee; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee A neutral cubane with a Zn^II^~4~O~4~ core: tetrabenzoatotetrakis(μ~3~-hydroxydi-2-pyridylmethanolato)tetrazinc(II)‒acetone‒methanol (1/2/1) Acta Crystallographica Section E 65(6) (2009) m658-m659
Space group: I -4 2 d
Cell volume: 7737.1
Cell parameters: 14.3201; 14.3201; 37.73; 90; 90; 90;

COD ID: 2225793

Formula: - C52 H72 Br8 Co4 N8 O14 -
Comments: Wang, Fang-Ming; Lu, Chang-Sheng; Li, Yi-Zhi; Meng, Qing-Jin A tetranuclear cobalt(III) cluster with 2-(hydroxymethyl)pyridine ligands Acta Crystallographica Section E 66(5) (2010) m594
Space group: I -4 2 d
Cell volume: 8163.3
Cell parameters: 16.5302; 16.5302; 29.875; 90; 90; 90;

COD ID: 2228872

Formula: - Cs0.49 Nb P S6 -
Comments: Lee, Eunsil; Lee, Yonghee; Yun, Hoseop Cs~0.49~NbPS~6~ Acta Crystallographica Section E 67(1) (2011) i4
Space group: I -4 2 d
Cell volume: 3368.87
Cell parameters: 15.9477; 15.9477; 13.2461; 90; 90; 90;

COD ID: 2238772
CIF file Original IUCr paper	Formula: - As H2 O4 Rb - Comments: Stöger, Berthold RbH~2~AsO~4~ Acta Crystallographica Section E 69(11) (2013) i73-i74 Space group: I -4 2 d Cell volume: 452.66 Cell parameters: 7.7865; 7.7865; 7.466; 90; 90; 90;

COD ID: 2239371
CIF file HKL data	Formula: - C24 H52 N2 O6 S - Comments: Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse Bis(dicyclohexylammonium) sulfate dihydrate Acta Crystallographica Section E 70(3) (2014) o237 Space group: I -4 2 d Cell volume: 2674.4 Cell parameters: 12.437; 12.437; 17.29; 90; 90; 90;

COD ID: 2239792

Formula: - C6 H8 Hg N4 Ni O2 S4 -
Comments: Weil, Matthias; Häusler, Thomas Crystal structure of [NiHg(SCN)~4~(CH~3~OH)~2~]~n~ Acta Crystallographica Section E 70(8) (2014) 48-50
Space group: I -4 2 d
Cell volume: 3055.02
Cell parameters: 10.1746; 10.1746; 29.5107; 90; 90; 90;

COD ID: 2239989

Formula: - C43 H43 N13 O11 -
Comments: Ayvazyan, Armen Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate Acta Crystallographica Section E 70(10) (2014) 213-215
Space group: I -4 2 d
Cell volume: 8518
Cell parameters: 26.173; 26.173; 12.434; 90; 90; 90;

COD ID: 2241204

Formula: - N O P -
Comments: Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data Acta Crystallographica Section E 71(11) (2015) 1325-1327
Space group: I -4 2 d
Cell volume: 148.972
Cell parameters: 4.6135; 4.6135; 6.9991; 90; 90; 90;

COD ID: 2241439

Formula: - C18 H44 Cl3 Co N6 O -
Comments: Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham Crystal structure of tris(trans-1,2-diaminocyclohexane-κ^2^N,N')cobalt(III) trichloride monohydrate Acta Crystallographica Section E 72(1) (2016) 49-52
Space group: I -4 2 d
Cell volume: 4890.2
Cell parameters: 18.7857; 18.7857; 13.8572; 90; 90; 90;

COD ID: 2300257

Formula: ?
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: I -4 2 d
Cell volume: 265.69
Cell parameters: 8.15; 8.15; 4; 90; 90; 90;

COD ID: 2300391
CIF file	Formula: - B12 Cs2 Li2 O20 - Comments: Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner Absolute optical rotation of CsLiB6O10 Journal of Applied Crystallography 38(3) (2005) 544 Space group: I -4 2 d Cell volume: 977.48 Cell parameters: 10.467; 10.467; 8.922; 90; 90; 90;

COD ID: 2310427
CIF file	Formula: - Mn15 Si26 - Comments: Knott, H.W.; Mueller, M.H.; Heaton, L. The crystal structure of Mn15 Si26 Acta Crystallographica (1,1948-23,1967) 23 (1967) 549-555 Space group: I -4 2 d Cell volume: 1997.99 Cell parameters: 5.531; 5.531; 65.311; 90; 90; 90;

COD ID: 2310573
CIF file	Formula: - C3 N3 P - Comments: Emerson, K.; Britton, D. The crystal and molecular structure of phosphorus tricyanide Acta Crystallographica (1,1948-23,1967) 17 (1964) 1134-1139 Space group: I -4 2 d Cell volume: 2118.76 Cell parameters: 14; 14; 10.81; 90; 90; 90;

COD ID: 2310649
CIF file	Formula: - Ge P2 Zn - Comments: Pfister, H. Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2 Acta Crystallographica (1,1948-23,1967) 11 (1958) 221-224 Space group: I -4 2 d Cell volume: 320.773 Cell parameters: 5.46; 5.46; 10.76; 90; 90; 90;

COD ID: 2310650
CIF file	Formula: - As2 Ge Zn - Comments: Pfister, H. Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2 Acta Crystallographica (1,1948-23,1967) 11 (1958) 221-224 Space group: I -4 2 d Cell volume: 358.46 Cell parameters: 5.67; 5.67; 11.15; 90; 90; 90;

COD ID: 2310651
CIF file	Formula: - As2 Sn Zn - Comments: Pfister, H. Kristallstruktur von Zn Sn As2 Acta Crystallographica (1,1948-23,1967) 16 (1963) 153-153 Space group: I -4 2 d Cell volume: 400.609 Cell parameters: 5.851; 5.851; 11.702; 90; 90; 90;

COD ID: 2310653
CIF file	Formula: - Cr2 Cu O4 - Comments: Prince, E. Crystal and magnetic structure of copper chromite Acta Crystallographica (1,1948-23,1967) 10 (1957) 554-556 Space group: I -4 2 d Cell volume: 283.827 Cell parameters: 6.04; 6.04; 7.78; 90; 90; 90;

COD ID: 3000241
CIF file is on hold until 2020-04-22	Formula: - O4 Si Zn2 - Comments: Kanzaki, M. High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 II structure at 0 K) To be published () Space group: I -4 2 d Cell volume: 315.661 Cell parameters: 7.0124; 7.0124; 6.4193; 90; 90; 90;

COD ID: 3000294
CIF file	Formula: - Cd Na2 Sn5 - Comments: Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd?Sn frameworks Inorganics 9 (2021) 19 Space group: I -4 2 d Cell volume: 942.14 Cell parameters: 6.427; 6.427; 22.8086; 90; 90; 90;

COD ID: 3000611

Formula: - H2 O -
Comments: Lee, Yun-Hee; Kim, Jin Kyun; Kim, Yong-Jae; Kim, Minju; Cho, Yong Chan; Husband, Rachel J.; Strohm, Cornelius; Ehrenreich-Petersen, Emma; Glazyrin, Konstantin; Laurus, Torsten; Graafsma, Heinz; Bauer, Robert P. C.; Lehmkühler, Felix; Appel, Karen; Konôpková, Zuzana; Tang, Minxue; Dwivedi, Anand Prashant; Sztuck-Dambietz, Jolanta; Randolph, Lisa; Buakor, Khachiwan; Humphries, Oliver; Baehtz, Carsten; Eklund, Tobias; Mohrbach, Lisa Katharina; Mondal, Anshuman; Marquardt, Hauke; O Bannon, Earl Francis; Amann-Winkel, Katrin; Yoo, Choong-Shik; Zastrau, Ulf; Liermann, Hanns-Peter; Nada, Hiroki; Lee, Geun Woo Multiple freezing–melting pathways of high-density ice through ice XXI phase at room temperature Nature Materials (2025) 1
Space group: I -4 2 d
Cell volume: 3218.8
Cell parameters: 20.1966; 20.1966; 7.8912; 90; 90; 90;

COD ID: 4001409

Formula: - C4 H18.5 N2.5 O13.5 P3 Zn2.5 -
Comments: Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels Chemistry of Materials 19(25) (2007) 6114
Space group: I -4 2 d
Cell volume: 7709.4
Cell parameters: 16.0829; 16.0829; 29.805; 90; 90; 90;

COD ID: 4002699
CIF file	Formula: - Na2 Sn5 Zn - Comments: Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels Chemistry of Materials 29(2) (2017) 859 Space group: I -4 2 d Cell volume: 900.45 Cell parameters: 6.341; 6.341; 22.3947; 90; 90; 90;

COD ID: 4003913

Formula: - C126 H102 Co7 O30 -
Comments: Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction Chemistry of Materials 33(8) (2021) 2804-2813
Space group: I -4 2 d
Cell volume: 23988.6
Cell parameters: 33.4671; 33.4671; 21.4175; 90; 90; 90;

COD ID: 4031806
CIF file	Formula: - C2 Hg N2 - Comments: Seccombe, R.C.; Kennard, C.H.L. The stereochemistry of organomercury compounds II. A redetermination of the structure of mercury(II) cyanide by neutron diffraction Journal of Organometallic Chemistry 18 (1969) 243-247 Space group: I -4 2 d Cell volume: 825.729 Cell parameters: 9.643; 9.643; 8.88; 90; 90; 90;

COD ID: 4034285
CIF file	Formula: - C54 H74 Cl6 F N5 O4 - Comments: Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D. Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor. The Journal of organic chemistry 84(7) (2019) 4050-4057 Space group: I -4 2 d Cell volume: 13560.1 Cell parameters: 19.4948; 19.4948; 35.68; 90; 90; 90;

COD ID: 4037596

Formula: - C50 H36 Cl6 F12 N4 -
Comments: Jeong, Eunjeong; Takahashi, Kohtaro; Rajagopal, Shinaj K.; Koganezawa, Tomoyuki; Hayashi, Hironobu; Aratani, Naoki; Suzuki, Mitsuharu; Nguyen, Thuc-Quyen; Yamada, Hiroko Orbital-Energy Modulation of Tetrabenzoporphyrin-Derived Non-Fullerene Acceptors for Improved Open-Circuit Voltage in Organic Solar Cells. The Journal of organic chemistry (2019)
Space group: I -4 2 d
Cell volume: 13998.2
Cell parameters: 16.1709; 16.1709; 53.531; 90; 90; 90;

COD ID: 4038950
CIF file	Formula: - C20 H8 N6 S3 - Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry 82 (2017) 5034-5045 Space group: I -4 2 d Cell volume: 5088.22 Cell parameters: 16.3407; 16.3407; 19.0557; 90; 90; 90;

COD ID: 4060687
CIF file	Formula: - C38 H62 N4 Si2 Yb - Comments: Toshiyuki Oshiki Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes Organometallics (2003) Space group: I -4 2 d Cell volume: 8121 Cell parameters: 23.296; 23.296; 14.964; 90; 90; 90;

COD ID: 4067583

Formula: - C66 H76 F18 N12 O10 P3 Rh4 -
Comments: Dzik, Wojciech I.; Creusen, Charlotte; de Gelder, René; Peters, Theo P. J.; Smits, Jan M. M.; de Bruin, Bas Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls Organometallics 29(7) (2010) 1629
Space group: I -4 2 d
Cell volume: 8565
Cell parameters: 30.368; 30.368; 9.2873; 90; 90; 90;

COD ID: 4070931

Formula: - C34 H18 F10 N2 Zn -
Comments: Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J. Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing Organometallics 27(7) (2008) 1436
Space group: I -4 2 d
Cell volume: 5842.6
Cell parameters: 17.399; 17.399; 19.3; 90; 90; 90;

COD ID: 4070932

Formula: - C30 H16 F10 N4 Zn -
Comments: Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J. Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing Organometallics 27(7) (2008) 1436
Space group: I -4 2 d
Cell volume: 5646.9
Cell parameters: 17.2349; 17.2349; 19.0106; 90; 90; 90;

COD ID: 4088409
CIF file	Formula: - C16 H22 Ni3 S4 - Comments: Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2 Organometallics 35(5) (2016) 836 Space group: I -4 2 d Cell volume: 4503 Cell parameters: 13.3769; 13.3769; 25.1645; 90; 90; 90;

COD ID: 4088668
CIF file	Formula: - C112 H128 Co N4 - Comments: Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S. A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides Organometallics 35(14) (2016) 2309 Space group: I -4 2 d Cell volume: 8863.9 Cell parameters: 27.4917; 27.4917; 11.728; 90; 90; 90;

COD ID: 4100191
CIF file	Formula: - C34 H36 O12 Si - Comments: Journal of the American Chemical Society (2005) Space group: I -4 2 d Cell volume: 10785 Cell parameters: 16.994; 16.994; 37.344; 90; 90; 90;

COD ID: 4100192
CIF file	Formula: - C24 H20 O8 Si - Comments: Journal of the American Chemical Society (2005) Space group: I -4 2 d Cell volume: 11074.8 Cell parameters: 17.3347; 17.3347; 36.855; 90; 90; 90;

COD ID: 4100194
CIF file	Formula: - C34.66667 H41.33333 O13.33333 Si - Comments: Journal of the American Chemical Society (2005) Space group: I -4 2 d Cell volume: 10780 Cell parameters: 17.05; 17.05; 37.082; 90; 90; 90;

COD ID: 4100864
CIF file	Formula: - C27 H30 Cl2 F36 O12 P6 Rh2 - Comments: Arthur J. Esswein; Adam S. Veige; Daniel G.Nocera Journal of the American Chemical Society (2005) Space group: I -4 2 d Cell volume: 11372.9 Cell parameters: 23.8123; 23.8123; 20.0571; 90; 90; 90;

COD ID: 4100871
CIF file	Formula: - C12 H29 Co3 K O24 - Comments: Wilson, Scott R.; Prussak-Wieckowska, Teresa Journal of the American Chemical Society (2005) Space group: I -4 2 d Cell volume: 5037.5 Cell parameters: 12.9064; 12.9064; 30.2416; 90; 90; 90;

COD ID: 4105292

Formula: - Cu In Se2 -
Comments: Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society 131 (2009) 16177-16188
Space group: I -4 2 d
Cell volume: 387.8
Cell parameters: 5.7937; 5.7937; 11.554; 90; 90; 90;

COD ID: 4105294

Formula: - Cu In Se2 -
Comments: Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society 131 (2009) 16177-16188
Space group: I -4 2 d
Cell volume: 388.11
Cell parameters: 5.7852; 5.7852; 11.5964; 90; 90; 90;

COD ID: 4105347

Formula: - Cu In Se2 -
Comments: Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society 131 (2009) 16177-16188
Space group: I -4 2 d
Cell volume: 388.71
Cell parameters: 5.7876; 5.7876; 11.6045; 90; 90; 90;

COD ID: 4106205

Formula: - C44 H32 N4 O -
Comments: Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins Journal of the American Chemical Society 133 (2011) 8740-8752
Space group: I -4 2 d
Cell volume: 3162.6
Cell parameters: 15.122; 15.122; 13.83; 90; 90; 90;

COD ID: 4106211

Formula: - C44 H30 N4 Ni O -
Comments: Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins Journal of the American Chemical Society 133 (2011) 8740-8752
Space group: I -4 2 d
Cell volume: 3143.3
Cell parameters: 14.9159; 14.9159; 14.128; 90; 90; 90;

COD ID: 4106293
CIF file	Formula: - Ga16 Se33 Zn4 - Comments: Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides Journal of the American Chemical Society 133 (2011) 9616-9625 Space group: I -4 2 d Cell volume: 29572 Cell parameters: 42.093; 42.093; 16.69; 90; 90; 90;

COD ID: 4106742
CIF file	Formula: - C25 H28 Au2 Cl2 N4 - Comments: Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes Journal of the American Chemical Society 133 (2011) 14293-14300 Space group: I -4 2 d Cell volume: 6645.6 Cell parameters: 12.3331; 12.3331; 43.691; 90; 90; 90;

COD ID: 4107116

Formula: - C38 H16 Ag6 F36 N18 -
Comments: Chi Yang; Ushasree Kaipa; Qian Zhang Mather; Xiaoping Wang; Vladimir Nesterov; Augustin F. Venero; Mohammad A. Omary Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage Journal of the American Chemical Society 133 (2011) 18094-18097
Space group: I -4 2 d
Cell volume: 7024.2
Cell parameters: 13.3664; 13.3664; 39.316; 90; 90; 90;

COD ID: 4107311
CIF file	Formula: - C90 H108 Ag18 N36 - Comments: Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society 130 (2008) 907-917 Space group: I -4 2 d Cell volume: 59834 Cell parameters: 27.1756; 27.1756; 81.019; 90; 90; 90;

COD ID: 4110300
CIF file	Formula: - C24 Ag6 F36 N18 - Comments: Chi Yang; Xiaoping Wang; Mohammad A. Omary Fluorous Metal-Organic Frameworks for High-Density Gas Adsorption Journal of the American Chemical Society 129 (2007) 15454-15455 Space group: I -4 2 d Cell volume: 7063 Cell parameters: 13.4273; 13.4273; 39.175; 90; 90; 90;

COD ID: 4111181
CIF file	Formula: - C42 H52 F5 N Ni P2 - Comments: Lan-Chang Liang; Pin-Shu Chien; Yu-Lun Huang Intermolecular Arene C-H Activation by Nickel(II) Journal of the American Chemical Society 128 (2006) 15562-15563 Space group: I -4 2 d Cell volume: 8623.7 Cell parameters: 17.512; 17.512; 28.1203; 90; 90; 90;

COD ID: 4111402
CIF file	Formula: - C H K N2 O2 - Comments: Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society 127 (2005) 1360-1361 Space group: I -4 2 d Cell volume: 800.19 Cell parameters: 9.2329; 9.2329; 9.3868; 90; 90; 90;

COD ID: 4115117
CIF file	Formula: - C6 H6 Te2 - Comments: Daniel B. Werz; Rolf Gleiter; Frank Rominger Nanotube Formation Favored by Chalcogen-Chalcogen Interactions Journal of the American Chemical Society 124 (2002) 10638-10639 Space group: I -4 2 d Cell volume: 1816.39 Cell parameters: 20.183; 20.183; 4.459; 90; 90; 90;

COD ID: 4119498

Formula: - C2 Ca0.5 Cl0.25 O2.25 -
Comments: Satoshi Horike; Yusuke Kamitsubo; Munehiro Inukai; Tomohiro Fukushima; Daiki Umeyama; Tomoya Itakura; Susumu Kitagawa Postsynthesis Modification of a Porous Coordination Polymer by LiCl To Enhance H+ Transport Journal of the American Chemical Society 135 (2013) 4612-4615
Space group: I -4 2 d
Cell volume: 1419.8
Cell parameters: 13.6253; 13.6253; 7.6476; 90; 90; 90;

COD ID: 4120135

Formula: - Na2 Sn5 Zn -
Comments: Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+x~Sn~10-x~ Journal of the American Chemical Society 135 (2013) 10654-10663
Space group: I -4 2 d
Cell volume: 898.5
Cell parameters: 6.336; 6.336; 22.382; 90; 90; 90;

COD ID: 4120590

Formula: - C12 H16 Cu4 N4 O8 -
Comments: Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C.; Peters, Jonas C.; Fu, Gregory C. Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature. Journal of the American Chemical Society 136(5) (2014) 2162-2167
Space group: I -4 2 d
Cell volume: 7028.4
Cell parameters: 12.2871; 12.2871; 46.554; 90; 90; 90;

COD ID: 4121095
CIF file	Formula: - C53 H36 N4 - Comments: Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi Single-Crystal Structure of a Covalent Organic Framework Journal of the American Chemical Society 135 (2013) 16336-16339 Space group: I -4 2 d Cell volume: 6627.38 Cell parameters: 30.17; 30.17; 7.281; 90; 90; 90;

COD ID: 4123671
CIF file	Formula: - Ge8 S16 - Comments: Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides. Journal of the American Chemical Society 137(19) (2015) 6184-6187 Space group: I -4 2 d Cell volume: 2404.89 Cell parameters: 11.2152; 11.2152; 19.1197; 90; 90; 90;

COD ID: 4123716

Formula: - C3 H10 Ge I3 N -
Comments: Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society 137(21) (2015) 6804-6819
Space group: I -4 2 d
Cell volume: 2308.65
Cell parameters: 7.9004; 7.9004; 36.988; 90; 90; 90;

COD ID: 4123974

Formula: - Cd4 In16 S33 -
Comments: Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Feng, P.-Y.; Zivkovic, O.; Yang, C.-S. Three-dimensional superlattices built from (M4 In16 S33)(10-) (M= Mn, Co, Zn, Cd) supertetrahedral clusters Journal of the American Chemical Society 123 (2001) 11506-11507
Space group: I -4 2 d
Cell volume: 29635.5
Cell parameters: 42.122; 42.122; 16.703; 90; 90; 90;

COD ID: 4123975

Formula: - In16 S33 Zn4 -
Comments: Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Feng, P.-Y. Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters Journal of the American Chemical Society 123 (2001) 11506-11507
Space group: I -4 2 d
Cell volume: 29168
Cell parameters: 41.811; 41.811; 16.685; 90; 90; 90;

COD ID: 4123976

Formula: - Co4 In16 S33 -
Comments: Wang, C.; Li, Y.-Q.; Bu Xianhui; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S. Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters Journal of the American Chemical Society 123 (2001) 11506-11507
Space group: I -4 2 d
Cell volume: 28989.7
Cell parameters: 41.698; 41.698; 16.673; 90; 90; 90;

COD ID: 4124091

Formula: - Ga8.2 H19.6 K8.32 O49.8 Si11.8 -
Comments: Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T. Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748
Space group: I -4 2 d
Cell volume: 1231.71
Cell parameters: 13.7026; 13.7026; 6.56; 90; 90; 90;

COD ID: 4124092

Formula: - Ga8.2 H17.2 K8.08 O48.6 Si11.8 -
Comments: Lee Yongjae; Vogt, T.; Bull, I.; Celestian, A.J.; Kim Sun Jin; Parise, J.B.; Kao Chichang Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748
Space group: I -4 2 d
Cell volume: 1226.06
Cell parameters: 13.6873; 13.6873; 6.5445; 90; 90; 90;

COD ID: 4124093

Formula: - Ga8.2 K7.36 O40 Si11.8 -
Comments: Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T. Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748
Space group: I -4 2 d
Cell volume: 1064.76
Cell parameters: 12.7372; 12.7372; 6.563; 90; 90; 90;

COD ID: 4130170

Formula: - C36 H44 N22 O12 S2 Zn5 -
Comments: Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks. Journal of the American Chemical Society 138(16) (2016) 5299-5307
Space group: I -4 2 d
Cell volume: 6335
Cell parameters: 18.76; 18.76; 17.999; 90; 90; 90;

COD ID: 4134394
CIF file	Formula: - C713.58 H804.32 N114.89 O350.35 Pd24 - Comments: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition. Journal of the American Chemical Society 142(12) (2020) 5504-5508 Space group: I -4 2 d Cell volume: 47659 Cell parameters: 40.908; 40.908; 28.479; 90; 90; 90;

COD ID: 4134431

Formula: - C144 H108 B6 F24 N28 Zn4 -
Comments: Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process. Journal of the American Chemical Society 142(12) (2020) 5819-5824
Space group: I -4 2 d
Cell volume: 17580.5
Cell parameters: 20.5323; 20.5323; 41.7019; 90; 90; 90;

COD ID: 4300126
CIF file	Formula: - C16 H32 Mo N O S4 - Comments: Booyong S. Lim; James P. Donahue; R. H. Holm Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family Inorganic Chemistry 39 (2000) 263-273 Space group: I -4 2 d Cell volume: 4473.91 Cell parameters: 12.7822; 12.7822; 27.3827; 90; 90; 90;

COD ID: 4300343
CIF file	Formula: - C28 H42 Cl4 N4 Ni4 O9 - Comments: Inorganic Chemistry (2006) Space group: I -4 2 d Cell volume: 7678.6 Cell parameters: 16.1421; 16.1421; 29.4689; 90; 90; 90;

COD ID: 4300344
CIF file	Formula: - C32 H50 Cl4 N4 Ni4 O9 - Comments: Inorganic Chemistry (2006) Space group: I -4 2 d Cell volume: 8093.6 Cell parameters: 16.6017; 16.6017; 29.3656; 90; 90; 90;

COD ID: 4300348
CIF file	Formula: - C64 H112 Cl4 N4 Ni4 O8 - Comments: Inorganic Chemistry (2006) Space group: I -4 2 d Cell volume: 7609.7 Cell parameters: 13.408; 13.408; 42.329; 90; 90; 90;

COD ID: 4301152
CIF file	Formula: - C52 H80 Ca K2 N4 O4 - Comments: Matthias Westerhausen; Carsten Glock; Helmar Görls Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes Inorganic Chemistry 48 (2009) 394-399 Space group: I -4 2 d Cell volume: 5355.2 Cell parameters: 18.0194; 18.0194; 16.4929; 90; 90; 90;

COD ID: 4301996

Formula: - C14 H10 Co0.03 N8 Zn0.97 -
Comments: Wei-Chao Song; Jian-Rong Li; Peng-Chao Song; Ying Tao; Qun Yu; Xiao-Lan Tong; Xian-He Bu Tuning the Framework Topologies of CoII-Doped ZnII-Tetrazole-benzoate Coordination Polymers by Ligand Modifications: Structures and Spectral Studies Inorganic Chemistry 48 (2009) 3792-3799
Space group: I -4 2 d
Cell volume: 5776.7
Cell parameters: 14.258; 14.258; 28.416; 90; 90; 90;

COD ID: 4302004
CIF file	Formula: - C4 H6 F N3 Zn - Comments: Ai-Xin Zhu; Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen Isomeric Zinc(II) Triazolate Frameworks with 3-Connected Networks: Syntheses, Structures, and Sorption Properties Inorganic Chemistry 48 (2009) 3882-3889 Space group: I -4 2 d Cell volume: 1171.6 Cell parameters: 13.5093; 13.5093; 6.4195; 90; 90; 90;

COD ID: 4302702
CIF file	Formula: - B K O8 P2 Sr - Comments: Dan Zhao; Wen-Dan Cheng; Hao Zhang; Shu-Ping Huang; Zhi Xie; Wei-Long Zhang; Song-Lin Yang KMBP2O8 (M = Sr, Ba): A New Kind of Noncentrosymmetry Borophosphate with the Three-Dimensional Diamond-like Framework Inorganic Chemistry 48 (2009) 6623-6629 Space group: I -4 2 d Cell volume: 701.7 Cell parameters: 7.1095; 7.1095; 13.882; 90; 90; 90;

COD ID: 4302703
CIF file	Formula: - B Ba K O8 P2 - Comments: Dan Zhao; Wen-Dan Cheng; Hao Zhang; Shu-Ping Huang; Zhi Xie; Wei-Long Zhang; Song-Lin Yang KMBP2O8 (M = Sr, Ba): A New Kind of Noncentrosymmetry Borophosphate with the Three-Dimensional Diamond-like Framework Inorganic Chemistry 48 (2009) 6623-6629 Space group: I -4 2 d Cell volume: 741.7 Cell parameters: 7.202; 7.202; 14.3; 90; 90; 90;

COD ID: 4305838
CIF file	Formula: - C54 H30 O13 Zn4 - Comments: Stephen R. Caskey; Antek G. Wong-Foy; Adam J. Matzger Phase Selection and Discovery among Five Assembly Modes in a Coordination Polymerization Inorganic Chemistry 47 (2008) 7751-7756 Space group: I -4 2 d Cell volume: 5593.9 Cell parameters: 13.9578; 13.9578; 28.7133; 90; 90; 90;

COD ID: 4305904

Formula: - C90 H159 Br8 Dy4 N51 O68 -
Comments: Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers Inorganic Chemistry 47 (2008) 8869-8880
Space group: I -4 2 d
Cell volume: 30073
Cell parameters: 45.833; 45.833; 14.316; 90; 90; 90;

COD ID: 4305905

Formula: - C90 H157 Br6 Ho4 N51 O68 -
Comments: Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers Inorganic Chemistry 47 (2008) 8869-8880
Space group: I -4 2 d
Cell volume: 29886
Cell parameters: 45.701; 45.701; 14.309; 90; 90; 90;

COD ID: 4305906

Formula: - C90 H155 Br8 Er4 N51 O66 -
Comments: Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers Inorganic Chemistry 47 (2008) 8869-8880
Space group: I -4 2 d
Cell volume: 29814
Cell parameters: 45.675; 45.675; 14.291; 90; 90; 90;

COD ID: 4307415

Formula: - C28 H28 F24 Fe4 N4 O22 -
Comments: Fabio Marchetti; Fabio Marchetti; Bernardo Melai; Guido Pampaloni; Stefano Zacchini Synthesis and Reactivity of Haloacetato Derivatives of Iron(II) Including the Crystal and the Molecular Structure of [Fe(CF3COOH)2(μ-CF3COO)2]n Inorganic Chemistry 46 (2007) 3378-3384
Space group: I -4 2 d
Cell volume: 12651.1
Cell parameters: 16.09; 16.09; 48.867; 90; 90; 90;

COD ID: 4308203
CIF file	Formula: - Ba19 Li44 - Comments: Volodymyr Smetana; Volodymyr Babizhetskyy; Grigori V. Vajenine; Constantin Hoch; Arndt Simon Double-Icosahedral Li Clusters in a New Binary Compound Ba19Li44: A Reinvestigation of the Ba-Li Phase Diagram Inorganic Chemistry 46 (2007) 5425-5428 Space group: I -4 2 d Cell volume: 8788.7 Cell parameters: 16.3911; 16.3911; 32.712; 90; 90; 90;

COD ID: 4308658

Formula: - Ag6 Hg6 O16 V4 -
Comments: Matthias Weil; Ekkehart Tillmanns; Dmitry Yu. Pushcharovsky Hydrothermal Single-Crystal Growth in the Systems Ag/Hg/X/O (X = VV, AsV): Crystal Structures of (Ag3Hg)VO4, (Ag2Hg2)3(VO4)4, and (Ag2Hg2)2(HgO2)(AsO4)2 with the Unusual Tetrahedral Cluster Cations (Ag3Hg)3+ and (Ag2Hg2)4+ and Crystal Structure of AgHgVO4 Inorganic Chemistry 44 (2005) 1443-1451
Space group: I -4 2 d
Cell volume: 2004.3
Cell parameters: 12.6295; 12.6295; 12.566; 90; 90; 90;

COD ID: 4309357

Formula: - C82 H78 Mn6 N4 O26 -
Comments: Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII Inorganic Chemistry 44 (2005) 5903-5910
Space group: I -4 2 d
Cell volume: 18914
Cell parameters: 27.2249; 27.2249; 25.5182; 90; 90; 90;

COD ID: 4309358

Formula: - C82 H78 Co4 Mn2 N4 O26 -
Comments: Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII Inorganic Chemistry 44 (2005) 5903-5910
Space group: I -4 2 d
Cell volume: 18637.3
Cell parameters: 27.1017; 27.1017; 25.374; 90; 90; 90;

COD ID: 4309359

Formula: - C82 H78 Mn2 N4 Ni4 O26 -
Comments: Konstantin S. Gavrilenko; Sergey V. Punin; Olivier Cador; Stéphane Golhen; Lahcène Ouahab; Vitaly V. Pavlishchuk Synthesis, Structure, and Magnetism of Heterometallic Carboxylate Complexes [MnIII2MII4O2(PhCOO)10(DMF)4], M = MnII, CoII, NiII Inorganic Chemistry 44 (2005) 5903-5910
Space group: I -4 2 d
Cell volume: 18458.1
Cell parameters: 27.0152; 27.0152; 25.2913; 90; 90; 90;

COD ID: 4310064

Formula: - C30 H18 N6 O6 Re2 -
Comments: Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine Inorganic Chemistry 44 (2005) 8707-8714
Space group: I -4 2 d
Cell volume: 5645.3
Cell parameters: 14.6968; 14.6968; 26.136; 90; 90; 90;

COD ID: 4310558
CIF file	Formula: - C12 H32 I3 Lu O4 - Comments: Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding Inorganic Chemistry 43 (2004) 1065-1070 Space group: I -4 2 d Cell volume: 5082 Cell parameters: 12.565; 12.565; 32.192; 90; 90; 90;

COD ID: 4313835

Formula: - C12 H8 N10 Zn -
Comments: Li-Zhong Wang; Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Ren-Gen Xiong; Zi-Ling Xue Isolation and Crystallographic Characterization of a Solid Precipitate/Intermediate in the Preparation of 5-Substituted 1H-Tetrazoles from Nitrile in Water Inorganic Chemistry 42 (2003) 3969-3971
Space group: I -4 2 d
Cell volume: 1394.3
Cell parameters: 10.119; 10.119; 13.6166; 90; 90; 90;

COD ID: 4315584
CIF file	Formula: - C4 H24 B4 Mn N2 - Comments: Do Young Kim; Gregory S. Girolami Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2 and Related Compounds Inorganic Chemistry 49 (2010) 4942-4948 Space group: I -4 2 d Cell volume: 2475.3 Cell parameters: 11.3972; 11.3972; 19.056; 90; 90; 90;

COD ID: 4317499
CIF file	Formula: - Sb18 Zr11 - Comments: Ingrid Elder; Chi-Shen Lee; Holger Kleinke Zr11Sb18: A New Binary Antimonide Exhibiting an Unusual Sb Atom Network with Nonclassical Sb-Sb Bonding Inorganic Chemistry 41 (2002) 538-545 Space group: I -4 2 d Cell volume: 2752.8 Cell parameters: 6.7694; 6.7694; 60.073; 90; 90; 90;

COD ID: 4317500
CIF file	Formula: - Sb18 V0.63 Zr10.37 - Comments: Ingrid Elder; Chi-Shen Lee; Holger Kleinke Zr11Sb18: A New Binary Antimonide Exhibiting an Unusual Sb Atom Network with Nonclassical Sb-Sb Bonding Inorganic Chemistry 41 (2002) 538-545 Space group: I -4 2 d Cell volume: 2748.3 Cell parameters: 6.7648; 6.7648; 60.056; 90; 90; 90;

COD ID: 4317848
CIF file	Formula: - C24 H24 As4 Mo12 N4 O46 - Comments: Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Victor G. Young; Andreas Stein Design and Analysis of Chain and Network Structures from Organic Derivatives of Polyoxometalate Clusters Inorganic Chemistry 41 (2002) 2213-2218 Space group: I -4 2 d Cell volume: 8481.63 Cell parameters: 26.8869; 26.8869; 11.7327; 90; 90; 90;

COD ID: 4318744
CIF file	Formula: - C72 H180 Cl4 Cu6 In8 P12 S13 - Comments: Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS Inorganic Chemistry 41 (2002) 5693-5698 Space group: I -4 2 d Cell volume: 54004.5 Cell parameters: 38.2199; 38.2199; 36.9701; 90; 90; 90;

COD ID: 4320214
CIF file	Formula: - C16 H32 N O S4 W - Comments: Kie-Moon Sung; R. H. Holm Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites Inorganic Chemistry 40 (2001) 4518-4525 Space group: I -4 2 d Cell volume: 4520.98 Cell parameters: 12.8552; 12.8552; 27.3574; 90; 90; 90;

COD ID: 4321119
CIF file	Formula: - Al Li Te2 - Comments: Joonyeong Kim; Timothy Hughbanks Synthesis and Structures of New Ternary Aluminum Chalcogenides: LiAlSe2, α-LiAlTe2, and β-LiAlTe2 Inorganic Chemistry 39 (2000) 3092-3097 Space group: I -4 2 d Cell volume: 471.64 Cell parameters: 6.3517; 6.3517; 11.6904; 90; 90; 90;

COD ID: 4323084
CIF file	Formula: - C F5 I - Comments: Rolf Minkwitz; Michael Berkei A New Preparation and Crystal Structure of Trifluoromethyl Iodine Difluoride CF3IF2 Inorganic Chemistry 37 (1998) 5247-5250 Space group: I -4 2 d Cell volume: 892.3 Cell parameters: 8.509; 8.509; 12.324; 90; 90; 90;

COD ID: 4326409
CIF file	Formula: - Np7 P13 Rb11 S52 - Comments: Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium Inorganic Chemistry 50 (2011) 9688-9695 Space group: I -4 2 d Cell volume: 18278.7 Cell parameters: 32.0634; 32.0634; 17.7798; 90; 90; 90;

COD ID: 4326412
CIF file	Formula: - K11 Np7 P13 S52 - Comments: Geng Bang Jin; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium Inorganic Chemistry 50 (2011) 9688-9695 Space group: I -4 2 d Cell volume: 17614 Cell parameters: 31.937; 31.937; 17.2691; 90; 90; 90;

COD ID: 4327699
CIF file	Formula: - As2 F12 Mn - Comments: Horst Borrmann; Karel Lutar; Boris Žemva Manganese(II) Hexafluoroarsenate: Unusually High Coordination of Manganese(II) in a Fluorine Environment Inorganic Chemistry 36 (1997) 880-882 Space group: I -4 2 d Cell volume: 870.51 Cell parameters: 7.5076; 7.5076; 15.4444; 90; 90; 90;

COD ID: 4332254

Formula: - C20 H20 Cu6 I4 N4 Se4 W -
Comments: Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces Inorganic Chemistry 45(13) (2006) 5187-5195
Space group: I -4 2 d
Cell volume: 3421
Cell parameters: 14.811; 14.811; 15.595; 90; 90; 90;

COD ID: 4334768
CIF file	Formula: - Ga Li O6 Se2 - Comments: Dong Woo Lee; Kang Min Ok New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities Inorganic Chemistry 52 (2013) 5176-5184 Space group: I -4 2 d Cell volume: 1091.8 Cell parameters: 10.5402; 10.5402; 9.828; 90; 90; 90;

COD ID: 4338947
CIF file	Formula: - C28 H32 Cl Co4 N4 Na O19.5 - Comments: Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K. Synthesis, structure, spectral and electrochemical properties, and catalytic use of cobalt(III)-oxo cubane clusters. Inorganic chemistry 46(22) (2007) 9450-9462 Space group: I -4 2 d Cell volume: 8296 Cell parameters: 12.398; 12.398; 53.97; 90; 90; 90;

COD ID: 4339457
CIF file	Formula: - C2 H3 In O5 - Comments: Su, Jie; Wang, Yingxia; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua New series of indium formates: hydrothermal synthesis, structure and coordination modes. Inorganic chemistry 46(20) (2007) 8403-8409 Space group: I -4 2 d Cell volume: 938.51 Cell parameters: 12.4199; 12.4199; 6.0842; 90; 90; 90;

COD ID: 4340142
CIF file	Formula: - Li44 Sr19 - Comments: Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram. Inorganic chemistry 54(3) (2015) 733-739 Space group: I -4 2 d Cell volume: 8059 Cell parameters: 15.912; 15.912; 31.831; 90; 90; 90;

COD ID: 4340471
CIF file	Formula: - C36 H34 Br4 N2 O4 - Comments: Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle. Inorganic chemistry 53(15) (2014) 7894 Space group: I -4 2 d Cell volume: 6963.5 Cell parameters: 26.8013; 26.8013; 9.6943; 90; 90; 90;

COD ID: 4340932

Formula: - C16 H146 Ce4 N8 Na16 O191 W44 -
Comments: Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters. Inorganic chemistry 53(18) (2014) 9486-9497
Space group: I -4 2 d
Cell volume: 23070
Cell parameters: 25.987; 25.987; 34.162; 90; 90; 90;

COD ID: 4343376
CIF file	Formula: - Fe H2 Li O6 P2 - Comments: Yaghoobnejad Asl, Hooman; Choudhury, Amitava Phosphite as Polyanion-Based Cathode for Li-Ion Battery: Synthesis, Structure, and Electrochemistry of LiFe(HPO3)2. Inorganic chemistry 54(13) (2015) 6566-6572 Space group: I -4 2 d Cell volume: 1119 Cell parameters: 10.5936; 10.5936; 9.9714; 90; 90; 90;

COD ID: 4344148

Formula: - C44 H8 F20 N4 Ni -
Comments: Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin. Inorganic chemistry 54(19) (2015) 9390-9392
Space group: I -4 2 d
Cell volume: 3653
Cell parameters: 15.4077; 15.4077; 15.3877; 90; 90; 90;

COD ID: 4346889

Formula: - C43 H29 N2 O23 Tb3 -
Comments: Zhao, Jun; Wang, Ye-Nan; Dong, Wen-Wen; Wu, Ya-Pan; Li, Dong-Sheng; Zhang, Qi-Chun A Robust Luminescent Tb(III)-MOF with Lewis Basic Pyridyl Sites for the Highly Sensitive Detection of Metal Ions and Small Molecules. Inorganic chemistry 55(7) (2016) 3265-3271
Space group: I -4 2 d
Cell volume: 12918
Cell parameters: 14.234; 14.234; 63.76; 90; 90; 90;

COD ID: 4347257
CIF file	Formula: - C136 H168 F N8 O36 P8 Zn8 - Comments: Dar, Aijaz A.; Bhat, Gulzar A.; Murugavel, Ramaswamy Dimensionality Alteration and Intra- versus Inter-SBU Void Encapsulation in Zinc Phosphate Frameworks. Inorganic chemistry 55(11) (2016) 5180-5190 Space group: I -4 2 d Cell volume: 33067 Cell parameters: 27.581; 27.581; 43.468; 90; 90; 90;

COD ID: 4348948

Formula: - C42 H46 Dy2 N8 O18 -
Comments: Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials. Inorganic chemistry 55(21) (2016) 11230-11248
Space group: I -4 2 d
Cell volume: 9753.7
Cell parameters: 12.807; 12.807; 59.467; 90; 90; 90;

COD ID: 4350752

Formula: - C26 H39 Cl O2 P2 Pd -
Comments: Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes Inorg. Chem. Front. 1(1) (2014) 71
Space group: I -4 2 d
Cell volume: 5358.9
Cell parameters: 21.578; 21.578; 11.5095; 90; 90; 90;

COD ID: 4502232

Formula: - C60 H44 Cd2 Li2 N2 O20 -
Comments: Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties Crystal Growth & Design 10(1) (2010) 146
Space group: I -4 2 d
Cell volume: 3572.6
Cell parameters: 23.3033; 23.3033; 6.5788; 90; 90; 90;

COD ID: 4504810
CIF file	Formula: - C22 H28 Br2 Li2 O6 - Comments: Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W. Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units Crystal Growth & Design 6(5) (2006) 1071 Space group: I -4 2 d Cell volume: 9766.9 Cell parameters: 18.492; 18.492; 28.562; 90; 90; 90;

COD ID: 4506526
CIF file	Formula: - C38 H72 Br8 F12 N2 Zn - Comments: Rosokha, Sergiy V.; Vinakos, Michael K. Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes Crystal Growth & Design 12(8) (2012) 4149 Space group: I -4 2 d Cell volume: 5630.8 Cell parameters: 15.0828; 15.0828; 24.7518; 90; 90; 90;

COD ID: 4506930
CIF file	Formula: - C17.25 H13 Co0.5 N2 O3 - Comments: Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands Crystal Growth & Design 12(11) (2012) 5529 Space group: I -4 2 d Cell volume: 6025.6 Cell parameters: 26.658; 26.658; 8.479; 90; 90; 90;

COD ID: 4508517

Formula: - C96 H82 B4 Co5 F16 N38 O23 -
Comments: Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties Crystal Growth & Design 13(11) (2013) 5068
Space group: I -4 2 d
Cell volume: 58850
Cell parameters: 30.2868; 30.2868; 64.156; 90; 90; 90;

COD ID: 4510006

Formula: - C48 H41 Cl5 M N27 O4 -
Comments: Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments Crystal Growth & Design 14(1) (2014) 2
Space group: I -4 2 d
Cell volume: 7516
Cell parameters: 21.312; 21.312; 16.548; 90; 90; 90;

COD ID: 4510642

Formula: - C16 H9.5 Ba1.5 N0.5 O8.5 -
Comments: Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands Crystal Growth & Design 13(7) (2013) 2965
Space group: I -4 2 d
Cell volume: 9451.4
Cell parameters: 25.984; 25.984; 13.9986; 90; 90; 90;

COD ID: 4510941

Formula: - C35 H24 Cd N2 O8 -
Comments: Pang, Ling-Yan; Yang, Guo-Ping; Jin, Jun-Cheng; Kang, Meng; Fu, Ai-Yun; Wang, Yao-Yu; Shi, Qi-Zhen A Rare L1D + R1D →3D Luminescent Dense Polymer as Multifunctional Sensor to Nitro Aromatic Compounds, Cu2+, and Bases Crystal Growth & Design 14(6) (2014) 2954
Space group: I -4 2 d
Cell volume: 6148.2
Cell parameters: 12.222; 12.222; 41.159; 90; 90; 90;

COD ID: 4511222

Formula: - C38 H72 Cs3 Mo12 N O58 P -
Comments: Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40] Crystal Growth & Design 8(3) (2008) 812
Space group: I -4 2 d
Cell volume: 16601
Cell parameters: 21.92; 21.92; 34.55; 90; 90; 90;

COD ID: 4511223

Formula: - C38 H72 Cs3 Mo12 N O58 P -
Comments: Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40] Crystal Growth & Design 8(3) (2008) 812
Space group: I -4 2 d
Cell volume: 16500
Cell parameters: 21.8123; 21.8123; 34.6801; 90; 90; 90;

COD ID: 4517324

Formula: - C43 H10 F20 N4 Ni O2 -
Comments: Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis (2020) 2177-2188
Space group: I -4 2 d
Cell volume: 3659.17
Cell parameters: 15.3766; 15.3766; 15.4761; 90; 90; 90;

COD ID: 4517325

Formula: - C43 H8 F20 N4 Ni O2 -
Comments: Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction ACS Catalysis (2020) 2177-2188
Space group: I -4 2 d
Cell volume: 3660.95
Cell parameters: 15.4016; 15.4016; 15.4334; 90; 90; 90;

COD ID: 4517955

Formula: - C72 H74 Au2 Br8 N48 O25 -
Comments: Wu, Huang; Jones, Leighton O.; Wang, Yu; Shen, Dengke; Liu, Zhichang; Zhang, Long; Cai, Kang; Jiao, Yang; Stern, Charlotte L.; Schatz, George C.; Stoddart, J. Fraser High-Efficiency Gold Recovery Using Cucurbit[6]uril. ACS applied materials & interfaces (2020)
Space group: I -4 2 d
Cell volume: 12182.7
Cell parameters: 14.4358; 14.4358; 58.4604; 90; 90; 90;

COD ID: 4517990

Formula: - C11 H3 Ag F3 N7 O5 S -
Comments: Yadav, Ashok; Panda, Dillip K.; Zhang, Shiyu; Zhou, Wei; Saha, Sourav Electrically Conductive 3D Metal-Organic Framework Featuring π-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-π Interaction and Efficient Charge-Transport Capabilities. ACS applied materials & interfaces (2020)
Space group: I -4 2 d
Cell volume: 6722.5
Cell parameters: 13.049; 13.049; 39.4798; 90; 90; 90;

COD ID: 4519319

Formula: - C2 Ca O5 -
Comments: König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle ACS Earth and Space Chemistry 6(1) (2022) 73-80
Space group: I -4 2 d
Cell volume: 484.1
Cell parameters: 6.994; 6.994; 9.897; 90; 90; 90;

COD ID: 5000366
CIF file	Formula: - C220 H174 Mn12 O48 - Comments: () Space group: I -4 2 d Cell volume: 26903.3 Cell parameters: 20.53; 20.531; 63.827; 90; 90; 90;

COD ID: 6000760
CIF file	Formula: - Ag In Te2 - Comments: Diaz, M.; de Chalbaud, L. M.; Sagredo, V.; Tinoco, T.; Pineda, C. Synchrotron structural study of AgInTe2 Physica Status Solidi B: Basic Solid State Physics 220 (2000) 281-284 Space group: I -4 2 d Cell volume: 505.73 Cell parameters: 6.262; 6.262; 12.897; 90; 90; 90;

COD ID: 7000140

Formula: - C4 H6 Cu N3 -
Comments: Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate. Dalton transactions (Cambridge, England : 2003) (issue 22) (2005) 3681-3685
Space group: I -4 2 d
Cell volume: 1040.19
Cell parameters: 14.0247; 14.0247; 5.2884; 90; 90; 90;

COD ID: 7001062

Formula: - C18 H42 K0.5 N5.5 Ni O3 Si -
Comments: Powell-Jia, Darla; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Borovik, A. S. A structure and reactivity analysis of monomeric Ni(ii)–hydroxo complexes prepared from water Dalton Transactions (issue 16) (2009) 2986-2992
Space group: I -4 2 d
Cell volume: 10727.4
Cell parameters: 24.6663; 24.6663; 17.6314; 90; 90; 90;

COD ID: 7003809
CIF file	Formula: - C59 H51 F6 N2 O2.5 P5 Ru - Comments: Ge, Qingchun; Hor, T. S. Andy Stepwise assembly of linearly-aligned Ru‒M‒Ru (M = Pd, Pt) heterotrimetallic complexes with σ-4-ethynylpyridine spacer Dalton Transactions (issue 22) (2008) 2929-2936 Space group: I -4 2 d Cell volume: 18328.9 Cell parameters: 25.6097; 25.6097; 27.9465; 90; 90; 90;

COD ID: 7004320

Formula: - C16 H16 Br S8 -
Comments: Fourmigué, Marc; Reinheimer, Eric W.; Dunbar, Kim R.; Auban-Senzier, Pascale; Pasquier, Claude; Coulon, Claude A series of strongly one-dimensional organic metals with strictly uniform stacks: (o-DMTTF)2X (X = Cl, Br, I) Dalton Transactions (issue 34) (2008) 4652
Space group: I -4 2 d
Cell volume: 2061.96
Cell parameters: 17.092; 17.092; 7.0582; 90; 90; 90;

COD ID: 7004321