Search results

Formula: - C8 H10 N8 O5 Sm W -
Comments: Hozumi, Toshiya; Ohkoshi, Shin-ichi; Arimoto, Yoichi; Seino, Hidetake; Mizobe, Yasushi; Hashimoto, Kazuhito Cooling-rate Dependent Ferromagnetism in a Two-dimensional Cyano-bridged Sm(III)-W(V) Complex The Journal of Physical Chemistry B 107(42) (2003) 11571
Space group: P 4/n c c :2
Cell volume: 1748
Cell parameters: 10.9203; 10.9203; 14.658; 90; 90; 90;

COD ID: 1510605
CIF file	Formula: - Au Bi2 O5 - Comments: Jansen, M.; Geb, J. Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates Journal of Solid State Chemistry 122 (1996) 364-370 Space group: P 4/n c c :2 Cell volume: 453.307 Cell parameters: 8.6703; 8.6703; 6.0301; 90; 90; 90;

COD ID: 1513720

Formula: - C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: P 4/n c c :2
Cell volume: 56817.4
Cell parameters: 42.289; 42.289; 31.7707; 90; 90; 90;

COD ID: 1521532
CIF file	Formula: - O3 W - Comments: Locherer, K.R.; Swainson, I.P.; Salje, E.K.H. Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters Journal of Physics: Condensed Matter 11 (1999) 4143-4156 Space group: P 4/n c c :2 Cell volume: 219.903 Cell parameters: 5.2885; 5.2885; 7.8626; 90; 90; 90;

COD ID: 1521836

Formula: - Co D5 Zr2 -
Comments: Riabov, A.B.; Yartys', V.A.; Sorby, M.H.; Hauback, B.C.; Fjellvag, H. Neutron diffraction studies of Zr-containing intermetallic hydrides with ordered hydrogen sublattice. V. Orthorhombic Zr3 Co D6.9 with filled (Re3 B)-type structure Journal of Alloys Compd. 296 (2000) 312-316
Space group: P 4/n c c :2
Cell volume: 268.776
Cell parameters: 6.9091; 6.9091; 5.6305; 90; 90; 90;

COD ID: 1525747

Formula: - Ba5 F0.16 Si3 -
Comments: Leon-Escamilla, E.A.; Corbett, J.D. Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases Journal of Solid State Chemistry 159 (2001) 149-162
Space group: P 4/n c c :2
Cell volume: 1180.36
Cell parameters: 8.4726; 8.4726; 16.443; 90; 90; 90;

COD ID: 1529844
CIF file	Formula: - S3 Sn Tl4 - Comments: del Bucchia, S.; Jumas, J.C.; Philippot, E.; Maurin, M. Etude dans le systeme (Sn S)-(Tl2 S). Structure cristalline de Tl4 Sn S3 Revue de Chimie Minerale 18 (1981) 224-234 Space group: P 4/n c c :2 Cell volume: 872.302 Cell parameters: 8.305; 8.305; 12.647; 90; 90; 90;

COD ID: 1530296
CIF file	Formula: - H4 O9 P2 V - Comments: Linde, S.A.; Gorbunova, Yu.E.; Lavrov, A.V.; Kuznetsov, V.G. The crystal structure of the vanadyl acid orthophospate V O (H2 P O4)2 Doklady Akademii Nauk SSSR 244 (1979) 1411-1414 Space group: P 4/n c c :2 Cell volume: 638.444 Cell parameters: 8.953; 8.953; 7.965; 90; 90; 90;

COD ID: 1530730
CIF file	Formula: - Cl4 Na2 Pd - Comments: Schroeder, L.; Keller, H.L. Darstellung und Kristallstruktur von Na2 Pd Cl4 Journal of the Less-Common Metals 153 (1989) 35-41 Space group: P 4/n c c :2 Cell volume: 687.612 Cell parameters: 9.584; 9.584; 7.486; 90; 90; 90;

COD ID: 1535943
CIF file	Formula: - H2 Mo6 O22 Pr2 - Comments: Naruke, H.; Yamase, T. The crystal structure of the monohydrate R2 Mo6 O21 * H2 O (R= Pr, Nd, Sm, and Eu): a layer structure containing disordered [Mo2 O7]2- groups Journal of Solid State Chemistry 178 (2005) 702-708 Space group: P 4/n c c :2 Cell volume: 2146.39 Cell parameters: 8.9962; 8.9962; 26.521; 90; 90; 90;

COD ID: 1536239
CIF file	Formula: - C6.156 B1.764 La5 - Comments: Oeckler, O.; Bauer, J.; Mattausch, H.J.; Simon, A. Ueber die Kristallstruktur der Phase La5 B2 C6 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 779-788 Space group: P 4/n c c :2 Cell volume: 914.825 Cell parameters: 8.59; 8.59; 12.398; 90; 90; 90;

COD ID: 1539608
CIF file	Formula: - Bi2 Cu O4 - Comments: Attfield, J.P. Exchange striction and exchange constants in Bi2 Cu O4 Journal of Physics: Condensed Matter 1 (1989) 7045-7053 Space group: P 4/n c c :2 Cell volume: 417.105 Cell parameters: 8.4875; 8.4875; 5.7901; 90; 90; 90;

COD ID: 1551729
CIF file	Formula: - C62 H67 N9 O2 Rh2 - Comments: HANDA, Makoto; YASUDA, Motoi; YOSHIOKA, Daisuke; IKEUE, Takahisa; MIKURIYA, Masahiro Crystal Structure of Rhodium(II) Formamidinate Dimer with an Axial Acetonitrile Molecule X-ray Structure Analysis Online 27 (2011) 15 Space group: P 4/n c c :2 Cell volume: 6345 Cell parameters: 16.275; 16.275; 23.955; 90; 90; 90;

COD ID: 1552014
CIF file	Formula: - O5 Xe2 - Comments: Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry 8 (2016) 784-790 Space group: P 4/n c c :2 Cell volume: 247.141 Cell parameters: 4.9826; 4.9826; 9.9548; 90; 90; 90;

COD ID: 1553063
CIF file	Formula: - C77 H89 Br4 Cl3 F8 I4 N4 O8 - Comments: Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers 2(4) (2015) 340 Space group: P 4/n c c :2 Cell volume: 9464.3 Cell parameters: 18.4165; 18.4165; 27.9044; 90; 90; 90;

COD ID: 1562566
CIF file	Formula: - Ge Se5 Th2 - Comments: Koscielski, Lukasz A.; Malliakas, Christos D.; Sarjeant, Amy A.; Ibers, James A. The synthesis, single-crystal structure, optical absorption, and resistivity of Th2GeSe5 Journal of Solid State Chemistry 205 (2013) 35-38 Space group: P 4/n c c :2 Cell volume: 766.04 Cell parameters: 7.4968; 7.4968; 13.6302; 90; 90; 90;

COD ID: 1566278

Formula: - C187 H120 F9 N62 Nd O57.5 S3 Zn16 -
Comments: Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science 13(10) (2022) 2919-2931
Space group: P 4/n c c :2
Cell volume: 24453.9
Cell parameters: 29.7978; 29.7978; 27.541; 90; 90; 90;

COD ID: 1566279

Formula: - C187 H124.5 F9 N56 O47 S3 Yb Zn16 -
Comments: Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range. Chemical science 13(10) (2022) 2919-2931
Space group: P 4/n c c :2
Cell volume: 24360.8
Cell parameters: 30.0778; 30.0778; 26.9277; 90; 90; 90;

COD ID: 1568062

Formula: - C88 H4 F56 Fe2 N8 O3 -
Comments: Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions. Chemical science 14(2) (2023) 257-265
Space group: P 4/n c c :2
Cell volume: 17982
Cell parameters: 29.489; 29.489; 20.678; 90; 90; 90;

COD ID: 1570509

Formula: - C112 H116 Cl13 N13 O12 Pt4 -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 4/n c c :2
Cell volume: 10433.1
Cell parameters: 22.024; 22.024; 21.509; 90; 90; 90;

COD ID: 1571027

Formula: - C173 H162 B8 Mo4 N38 -
Comments: Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E. Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes. Chemical science 15(14) (2024) 5152-5162
Space group: P 4/n c c :2
Cell volume: 16154.6
Cell parameters: 25.3294; 25.3294; 25.1795; 90; 90; 90;

COD ID: 2003510
CIF file Original IUCr paper	Formula: - C12 H30 Cl2 Co2 N6 O14 - Comments: Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X. Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate Acta Crystallographica Section C 51(6) (1995) 1080-1082 Space group: P 4/n c c :2 Cell volume: 4528 Cell parameters: 14.203; 14.203; 22.447; 90; 90; 90;

COD ID: 2006048
CIF file Original IUCr paper	Formula: - As4 Ce Na4 O14 - Comments: Belam, W.; Boughzala, H.; Jouini, T. Na~4~Ce(As~2~O~7~)~2~ Acta Crystallographica Section C 53(4) (1997) 397-399 Space group: P 4/n c c :2 Cell volume: 1193.4 Cell parameters: 10.825; 10.825; 10.184; 90; 90; 90;

COD ID: 2012207

Formula: - C16 H28 Cl2 Cu N12 S4 -
Comments: Lynch, Daniel E.; Ewington, Jonathan Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride Acta Crystallographica Section C 57(9) (2001) 1032-1035
Space group: P 4/n c c :2
Cell volume: 2690.5
Cell parameters: 12.3273; 12.3273; 17.705; 90; 90; 90;

COD ID: 2015028

Formula: - Ga3 Sm5 -
Comments: Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude Sm~5~Ga~3~ Acta Crystallographica Section C 61(7) (2005) i71-i72
Space group: P 4/n c c :2
Cell volume: 863.77
Cell parameters: 7.8026; 7.8026; 14.188; 90; 90; 90;

COD ID: 2022723

Formula: - C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -
Comments: Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κO)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor. Acta crystallographica. Section E, Crystallographic communications 79(Pt 4) (2023) 402-405
Space group: P 4/n c c :2
Cell volume: 8422.9
Cell parameters: 14.394; 14.394; 40.6538; 90; 90; 90;

COD ID: 2106494
CIF file	Formula: - F7 Li3 Th - Comments: Cousson, A.; Pages, M.; Chevalier, R. The crystal structure of Li3 Th F7 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1776-1778 Space group: P 4/n c c :2 Cell volume: 498.377 Cell parameters: 6.206; 6.206; 12.94; 90; 90; 90;

COD ID: 2106511
CIF file	Formula: - Ba5 Fe9 S18 - Comments: Grey, I.E. The structure of Ba5 Fe9 S18 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 45-48 Space group: P 4/n c c :2 Cell volume: 3014.84 Cell parameters: 7.776; 7.776; 49.86; 90; 90; 90;

COD ID: 2208893

Formula: - C24 H36 Br2 Mg2 N2 O3.5 -
Comments: Churakov, Andrei V.; Krut'ko, Dmitry P.; Borzov, Maxim V.; Kirsanov, Roman S.; Belov, Sergei A.; Howard, Judith A. K. Di-μ-pyridyl-1:2κ^2^N:C^2^;2:1κ^2^N:C^2^-μ-tetrahydrofuran-κ^2^O:O-bis[bromo(tetrahydrofuran)magnesium(II)] tetrahydrofuran hemisolvate Acta Crystallographica Section E 62(5) (2006) m1094-m1096
Space group: P 4/n c c :2
Cell volume: 5671.53
Cell parameters: 17.3368; 17.3368; 18.8696; 90; 90; 90;

COD ID: 2229798

Formula: - C67 H68.5 Cl1.5 Fe N8 O7 -
Comments: Dhifet, Mondher; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^N,N',N'',N'''}iron(III) chlorobenzene hemisolvate monohydrate Acta Crystallographica Section E 67(4) (2011) m460-m461
Space group: P 4/n c c :2
Cell volume: 6177
Cell parameters: 18.069; 18.069; 18.919; 90; 90; 90;

COD ID: 2232495

Formula: - C52 H50 Cr2 F4 N16 Nd2 O29 -
Comments: Birk, Torben; Schau-Magnussen, Magnus; Weyhermüller, Thomas; Bendix, Jesper cyclo-Tetra-μ-fluorido-1:2κ^2^F;2:3κ^2^F;3:4κ^2^F;1:4κ^2^F-octanitrato-1κ^8^O,O';3κ^8^O,O'-tetrakis(1,10-phenanthroline)-2κ^4^N,N';4κ^4^N,N'-2,4-dichromium(III)-1,3-dineodymium(III) methanol tetrasolvate monohydrate Acta Crystallographica Section E 67(11) (2011) m1561-m1562
Space group: P 4/n c c :2
Cell volume: 6515
Cell parameters: 17.632; 17.632; 20.955; 90; 90; 90;

COD ID: 4000509
CIF file	Formula: - C26 H61.5 K0.5 N4 O26 P4 V5 - Comments: Chemistry of Materials (2005) Space group: P 4/n c c :2 Cell volume: 9668.7 Cell parameters: 16.3569; 16.3569; 36.1381; 90; 90; 90;

COD ID: 4000518
CIF file	Formula: - Au Se3 Sn Tl - Comments: Chemistry of Materials (2005) Space group: P 4/n c c :2 Cell volume: 2632 Cell parameters: 11.4513; 11.4513; 20.071; 90; 90; 90;

COD ID: 4001112

Formula: - O5 Si Sr3 -
Comments: Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G. Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate Chemistry of Materials 20(5) (2008) 2026
Space group: P 4/n c c :2
Cell volume: 519.989
Cell parameters: 6.951343; 6.951343; 10.76111; 90; 90; 90;

COD ID: 4001113

Formula: - Al0.04 O4.98 Si0.96 Sr3 -
Comments: Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G. Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate Chemistry of Materials 20(5) (2008) 2026
Space group: P 4/n c c :2
Cell volume: 520.531
Cell parameters: 6.9427; 6.9427; 10.79916; 90; 90; 90;

COD ID: 4002225
CIF file	Formula: - K2 Mn Se6 Sn2 - Comments: Chen, X.; Huang, X.-Y.; Fu, A.-H.; Li, J.; Zhang, L.-D.; Guo, H.-Y. From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4 Chemistry of Materials (1,1989-) 12 (2000) 2385-2391 Space group: P 4/n c c :2 Cell volume: 1315.59 Cell parameters: 8.167; 8.167; 19.724; 90; 90; 90;

COD ID: 4002330
CIF file	Formula: - Bi2.08 Cu0.84 O4 - Comments: Henry, N.; Mentre, O.; Boivin, J.C.; Abraham, F. Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb) Chemistry of Materials (1,1989-) 13 (2001) 543-551 Space group: P 4/n c c :2 Cell volume: 426.092 Cell parameters: 8.58; 8.58; 5.788; 90; 90; 90;

COD ID: 4002331
CIF file	Formula: - Bi2 Cu0.92 O4 Pb0.04 - Comments: Henry, N.; Boivin, J.C.; Mentre, O.; Abraham, F. Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb) Chemistry of Materials (1,1989-) 13 (2001) 543-551 Space group: P 4/n c c :2 Cell volume: 423.382 Cell parameters: 8.535; 8.535; 5.812; 90; 90; 90;

COD ID: 4025194
CIF file	Formula: - C48 H44 N12 O4 - Comments: Li-Xia Wang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang Synthesis and Highly Selective Bromination of Azacalix[4]pyrimidine Macrocycles Journal of Organic Chemistry 75 (2010) 741-747 Space group: P 4/n c c :2 Cell volume: 5398.1 Cell parameters: 17.896; 17.896; 16.855; 90; 90; 90;

COD ID: 4029559
CIF file	Formula: - C62 H91 N O8 - Comments: Columbus, Ishay; Biali, Silvio E. Calix[4]arene derivatives monosubstituted at all four methylene bridges. The Journal of organic chemistry 73(7) (2008) 2598-2606 Space group: P 4/n c c :2 Cell volume: 5852 Cell parameters: 16.951; 16.951; 20.365; 90; 90; 90;

COD ID: 4030420
CIF file	Formula: - As2 H4 O9 V - Comments: Amoros, P.; Beltran-Porter, A.; Villeneuve, G.; Beltran-Porter, D. Vanadyl dihydrogenoarsenate, VO(H2AsO4)2 : crystal structure and superexchange pathways European Journal of Solid State and Inorganic Chemistry 29 (1992) 257-272 Space group: P 4/n c c :2 Cell volume: 680.23 Cell parameters: 9.1363; 9.1363; 8.1492; 90; 90; 90;

COD ID: 4060099
CIF file	Formula: - C32 H52 Cl0 Cu2 F12 O0.67 P2 Ru2 S6 - Comments: Organometallics (2005) Space group: P 4/n c c :2 Cell volume: 28108 Cell parameters: 23.7164; 23.7164; 49.973; 90; 90; 90;

COD ID: 4062906
CIF file	Formula: - C15 H12 Cu3 N3 - Comments: Organometallics (2004) Space group: P 4/n c c :2 Cell volume: 2953.8 Cell parameters: 20.506; 20.506; 7.0245; 90; 90; 90;

COD ID: 4074994

Formula: - C67 H55 Ir N2 O2 -
Comments: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M. Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes Organometallics 25(6) (2006) 1461-1471
Space group: P 4/n c c :2
Cell volume: 12319
Cell parameters: 25.909; 25.909; 18.352; 90; 90; 90;

COD ID: 4100255
CIF file	Formula: - C58 H43 Cl17 N8 O0.5 Ru2 - Comments: Journal of the American Chemical Society (2005) Space group: P 4/n c c :2 Cell volume: 6528.9 Cell parameters: 15.5378; 15.5378; 27.043; 90; 90; 90;

COD ID: 4100256
CIF file	Formula: - C58 H43 Cl17 N8 O0.5 Ru2 - Comments: Journal of the American Chemical Society (2005) Space group: P 4/n c c :2 Cell volume: 6748 Cell parameters: 15.7834; 15.7834; 27.0879; 90; 90; 90;

COD ID: 4101883

Formula: - C24 H56 K2 Mo4 N4 Na2 O42 S4 -
Comments: Sylvain Duval; Sébastien Floquet; Corine Simonnet-Jégat; Jérôme Marrot; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Mohamed Haouas; Francis Taulelle; Emmanuel Cadot Capture of the [Mo~3~S~4~]^4+^ Cluster within a {Mo~18~} Macrocycle Yielding a Supramolecular Assembly Stabilized by a Dynamic H-Bond Network Journal of the American Chemical Society 132 (2010) 2069-2077
Space group: P 4/n c c :2
Cell volume: 12254.7
Cell parameters: 20.4851; 20.4851; 29.203; 90; 90; 90;

COD ID: 4104951

Formula: - C34 H32 Fe N8 O4 S2 -
Comments: Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material Journal of the American Chemical Society 131 (2009) 12106-12108
Space group: P 4/n c c :2
Cell volume: 3863.3
Cell parameters: 14.6829; 14.6829; 17.92; 90; 90; 90;

COD ID: 4104952

Formula: - C36 H32 Fe N6 O7 S2 -
Comments: Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material Journal of the American Chemical Society 131 (2009) 12106-12108
Space group: P 4/n c c :2
Cell volume: 3825
Cell parameters: 14.639; 14.639; 17.851; 90; 90; 90;

COD ID: 4104953

Formula: - C33 H32 Fe N6 O7 S2 -
Comments: Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material Journal of the American Chemical Society 131 (2009) 12106-12108
Space group: P 4/n c c :2
Cell volume: 3873
Cell parameters: 14.675; 14.675; 17.984; 90; 90; 90;

COD ID: 4104954

Formula: - C33 H32 Fe N6 O5 S2 -
Comments: Suzanne M. Neville; Gregory J. Halder; Karena W. Chapman; Martin B. Duriska; Boujemaa Moubaraki; Keith S. Murray; Cameron J. Kepert Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material Journal of the American Chemical Society 131 (2009) 12106-12108
Space group: P 4/n c c :2
Cell volume: 3881.5
Cell parameters: 14.726; 14.726; 17.899; 90; 90; 90;

COD ID: 4108655
CIF file	Formula: - C528 H468 Cu8 N64 O32 - Comments: Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure Journal of the American Chemical Society 130 (2008) 15222-15223 Space group: P 4/n c c :2 Cell volume: 78714 Cell parameters: 48.488; 48.488; 33.48; 90; 90; 90;

COD ID: 4108885

Formula: - C36 H44 N4 O12 Ru2 -
Comments: Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex Journal of the American Chemical Society 130 (2008) 17575-17583
Space group: P 4/n c c :2
Cell volume: 16096
Cell parameters: 25.485; 25.485; 24.7823; 90; 90; 90;

COD ID: 4109274
CIF file	Formula: - C56 H62 Cl N7 O8 - Comments: Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage Journal of the American Chemical Society 129 (2007) 3820-3821 Space group: P 4/n c c :2 Cell volume: 5241 Cell parameters: 16.0984; 16.0984; 20.223; 90; 90; 90;

COD ID: 4111267

Formula: - C28 H30 N6 O6 Zn -
Comments: Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion Journal of the American Chemical Society 128 (2006) 16416-16417
Space group: P 4/n c c :2
Cell volume: 6849.2
Cell parameters: 17.355; 17.355; 22.74; 90; 90; 90;

COD ID: 4111900

Formula: - C58 H43 Cl17 N8 O0.5 Ru2 -
Comments: Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel Journal of the American Chemical Society 127 (2005) 12691-12696
Space group: P 4/n c c :2
Cell volume: 6584.4
Cell parameters: 15.598; 15.598; 27.063; 90; 90; 90;

COD ID: 4114669

Formula: - C20 H20 Cu F6 N4 O2 Si -
Comments: Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers Journal of the American Chemical Society 124 (2002) 2568-2583
Space group: P 4/n c c :2
Cell volume: 1967.2
Cell parameters: 11.08; 11.08; 16.0239; 90; 90; 90;

COD ID: 4114671

Formula: - C20 H20 Cu F6 Ge N4 O2 -
Comments: Shin-ichiro Noro; Ryo Kitaura; Mitsuru Kondo; Susumu Kitagawa; Tomohiko Ishii; Hiroyuki Matsuzaka; Masahiro Yamashita Framework Engineering by Anions and Porous Functionalities of Cu(II)/4,4'-bpy Coordination Polymers Journal of the American Chemical Society 124 (2002) 2568-2583
Space group: P 4/n c c :2
Cell volume: 1980.4
Cell parameters: 11.146; 11.146; 15.941; 90; 90; 90;

COD ID: 4114963

Formula: - C72 H88 F N5 O8 -
Comments: Christopher J. Woods; Salvatore Camiolo; Mark E. Light; Simon J. Coles; Michael B. Hursthouse; Michael A. King; Philip A. Gale; Jonathan W. Essex Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory Journal of the American Chemical Society 124 (2002) 8644-8652
Space group: P 4/n c c :2
Cell volume: 7149.6
Cell parameters: 17.2489; 17.2489; 24.0303; 90; 90; 90;

COD ID: 4115008

Formula: - C28 H48 B Cl F4 Mo2 N12 -
Comments: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds Journal of the American Chemical Society 124 (2002) 9249-9256
Space group: P 4/n c c :2
Cell volume: 3437.8
Cell parameters: 14.4878; 14.4878; 16.3787; 90; 90; 90;

COD ID: 4116641
CIF file	Formula: - C17 H22.5 O2.5 Se2.25 Sm - Comments: Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2) Journal of the American Chemical Society 121 (1999) 11713-11719 Space group: P 4/n c c :2 Cell volume: 8258 Cell parameters: 18.544; 18.544; 24.015; 90; 90; 90;

COD ID: 4116642
CIF file	Formula: - C17 H22.5 O2.5 Se2.25 Yb - Comments: Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2) Journal of the American Chemical Society 121 (1999) 11713-11719 Space group: P 4/n c c :2 Cell volume: 8128 Cell parameters: 18.289; 18.289; 24.299; 90; 90; 90;

COD ID: 4116643
CIF file	Formula: - C17 H22.5 O2.5 Se2.25 Sm0.61 Yb0.39 - Comments: Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2) Journal of the American Chemical Society 121 (1999) 11713-11719 Space group: P 4/n c c :2 Cell volume: 8267 Cell parameters: 18.493; 18.493; 24.172; 90; 90; 90;

COD ID: 4116644
CIF file	Formula: - C17 H22.5 Nd0.5 O2.5 Se2.25 Yb0.5 - Comments: Deborah Freedman; Safak Sayan; Thomas J. Emge; Mark Croft; John G. Brennan Heterovalent Clusters: Ln4Se(SePh)8 (Ln4= Sm4, Yb4, Sm2Yb2, Nd2Yb2) Journal of the American Chemical Society 121 (1999) 11713-11719 Space group: P 4/n c c :2 Cell volume: 8217 Cell parameters: 18.465; 18.465; 24.1; 90; 90; 90;

COD ID: 4121070
CIF file	Formula: - C264 H228 N76 Ni14 O12 - Comments: Xiao-Ping Zhou; Yuan Wu; Dan Li Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation Journal of the American Chemical Society 135 (2013) 16062-16065 Space group: P 4/n c c :2 Cell volume: 33006.9 Cell parameters: 29.3144; 29.3144; 38.4099; 90; 90; 90;

COD ID: 4121609
CIF file	Formula: - C21 H47 Mg0.5 N O3 P Pt Si - Comments: Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias 1,2-selective hydrosilylation of conjugated dienes. Journal of the American Chemical Society 136(13) (2014) 4857-4860 Space group: P 4/n c c :2 Cell volume: 12812 Cell parameters: 31.918; 31.918; 12.5758; 90; 90; 90;

COD ID: 4123353
CIF file	Formula: - C120 H156 Cl N4 O12 P5 - Comments: Ciardi, Moira; Galán, Albano; Ballester, Pablo Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs. Journal of the American Chemical Society 137(5) (2015) 2047-2055 Space group: P 4/n c c :2 Cell volume: 11020.2 Cell parameters: 22.2729; 22.2729; 22.2145; 90; 90; 90;

COD ID: 4129460

Formula: - C69.6 H80 Br4 F11.2 I2.8 N4 O14 -
Comments: Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures. Journal of the American Chemical Society 137(32) (2015) 10406-10413
Space group: P 4/n c c :2
Cell volume: 9025.3
Cell parameters: 17.5404; 17.5404; 29.3347; 90; 90; 90;

COD ID: 4129463

Formula: - C76 H98 Br4 F8 I4 N4 O14 -
Comments: Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures. Journal of the American Chemical Society 137(32) (2015) 10406-10413
Space group: P 4/n c c :2
Cell volume: 9984.7
Cell parameters: 18.2858; 18.2858; 29.8612; 90; 90; 90;

COD ID: 4131594

Formula: - C64 H128 Co12 Mo6 N4 O19 P8 Se16 -
Comments: Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick Weaving Nanoscale Cloth through Electrostatic Templating. Journal of the American Chemical Society 139(34) (2017) 11718-11721
Space group: P 4/n c c :2
Cell volume: 13139
Cell parameters: 21.4506; 21.4506; 28.554; 90; 90; 90;

COD ID: 4131595

Formula: - C82.18 H149.09 Co12 Mo6 N6.55 O21 P8 Se16 -
Comments: Champsaur, Anouck M.; Mézière, Cécile; Allain, Magali; Paley, Daniel W.; Steigerwald, Michael L.; Nuckolls, Colin; Batail, Patrick Weaving Nanoscale Cloth through Electrostatic Templating. Journal of the American Chemical Society 139(34) (2017) 11718-11721
Space group: P 4/n c c :2
Cell volume: 13565.7
Cell parameters: 21.65893; 21.65893; 28.918; 90; 90; 90;

COD ID: 4132409

Formula: - C88 H84 B4 F16 N32 O8 Zn4 -
Comments: Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie Spin State Chemistry: Modulation of Ligand p Ka by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex. Journal of the American Chemical Society 140(26) (2018) 8218-8227
Space group: P 4/n c c :2
Cell volume: 9912.5
Cell parameters: 21.6393; 21.6393; 21.1688; 90; 90; 90;

COD ID: 4300168

Formula: - C316 H496 B3 Cl Fe14 Mo4 N8 O16 P12 S16 -
Comments: Frank Osterloh; Brent M. Segal; Catalina Achim; R. H. Holm Reduced Mono-, Di-, and Tetracubane-Type Clusters Containing the [MoFe3S4]2+ Core Stabilized by Tertiary Phosphine Ligation Inorganic Chemistry 39 (2000) 980-989
Space group: P 4/n c c :2
Cell volume: 38742.7
Cell parameters: 32.9623; 32.9623; 35.6578; 90; 90; 90;

COD ID: 4304471

Formula: - C52 H99 Cl8 Mn12 N14 O22.5 -
Comments: Rashmi Bagai; Khalil A. Abboud; George Christou Unusual Structural Types in Manganese Cluster Chemistry from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine: Mn8, Mn12, and Mn20 Clusters Inorganic Chemistry 47 (2008) 621-631
Space group: P 4/n c c :2
Cell volume: 8157.7
Cell parameters: 19.7797; 19.7797; 20.851; 90; 90; 90;

COD ID: 4304956

Formula: - C48 H31 F12 N9 Ru2 S -
Comments: Minh Nguyen; Tuan Phan; Eric Van Caemelbecke; Xin Wei; John L. Bear; Karl M. Kadish Synthesis and Characterization of (3,1) Ru2(F3ap)4(NCS) and (3,1) Ru2(F3ap)3(F2Oap)(NCS) Where F3ap Is the 2-(2,4,6-Trifluoroanilino)pyridinate Anion Inorganic Chemistry 47 (2008) 4392-4400
Space group: P 4/n c c :2
Cell volume: 18979.4
Cell parameters: 28.6662; 28.6662; 23.0963; 90; 90; 90;

COD ID: 4306371
CIF file	Formula: - C8 H12 Pt2 S8 - Comments: Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora Electrical Conductivity in Platinum-Dimer Columns Inorganic Chemistry 47 (2008) 9736-9738 Space group: P 4/n c c :2 Cell volume: 1910 Cell parameters: 12.713; 12.713; 11.818; 90; 90; 90;

COD ID: 4307564
CIF file	Formula: - C2 H10 F5 N2 V - Comments: David W. Aldous; Nicholas F. Stephens; Philip Lightfoot Hydrothermal Vanadium Fluoride Chemistry: Four New V3+ Chain Structures Inorganic Chemistry 46 (2007) 3996-4001 Space group: P 4/n c c :2 Cell volume: 1310.1 Cell parameters: 12.837; 12.837; 7.9502; 90; 90; 90;

COD ID: 4308466
CIF file	Formula: - C12 H22 Cl Cu Gd N16 O13 - Comments: Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers Inorganic Chemistry 44 (2005) 559-565 Space group: P 4/n c c :2 Cell volume: 2696.7 Cell parameters: 10.6062; 10.6062; 23.9726; 90; 90; 90;

COD ID: 4308467
CIF file	Formula: - C12 H22 Cl Cu N16 Nd O13 - Comments: Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers Inorganic Chemistry 44 (2005) 559-565 Space group: P 4/n c c :2 Cell volume: 2728.13 Cell parameters: 10.6525; 10.6525; 24.0415; 90; 90; 90;

COD ID: 4309247

Formula: - C60 H60 Cl N8 O8 Rh2 -
Comments: Daniel A. Lutterman; Natalya N. Degtyareva; Dean H. Johnston; Judith C. Gallucci; Judith L. Eglin; Claudia Turro Photoinduced One-Electron Reduction of Alkyl Halides by Dirhodium(II,II) Tetraformamidinates and a Related Complex with Visible Light Inorganic Chemistry 44 (2005) 5388-5396
Space group: P 4/n c c :2
Cell volume: 6056.7
Cell parameters: 14.135; 14.135; 30.314; 90; 90; 90;

COD ID: 4309589

Formula: - C36 H34 Mn N8 O7 Ru2 -
Comments: Wai-Fun Yeung; Pui-Ha Lau; Tai-Chu Lau; Hai-Yan Wei; Hao-Ling Sun; Song Gao; Zhi-Da Chen; Wing-Tak Wong Heterometallic MIIRuIII2 Compounds Constructed from trans-[Ru(Salen)(CN)2]- and trans-[Ru(Acac)2(CN)2]-. Synthesis, Structures, Magnetic Properties, and Density Functional Theoretical Study Inorganic Chemistry 44 (2005) 6579-6590
Space group: P 4/n c c :2
Cell volume: 3748.1
Cell parameters: 14.799; 14.799; 17.114; 90; 90; 90;

COD ID: 4310886
CIF file	Formula: - C24 H40 Cr N4 Pt S4 - Comments: Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou Crystallographic Evidence for Chromium-Platinum Interaction Inorganic Chemistry 43 (2004) 2459-2461 Space group: P 4/n c c :2 Cell volume: 2909.52 Cell parameters: 14.5055; 14.5055; 13.8279; 90; 90; 90;

COD ID: 4310887
CIF file	Formula: - C26 H45 Cr N4 O0.5 Pt S4 - Comments: Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou Crystallographic Evidence for Chromium-Platinum Interaction Inorganic Chemistry 43 (2004) 2459-2461 Space group: P 4/n c c :2 Cell volume: 3427.53 Cell parameters: 15.4221; 15.4221; 14.411; 90; 90; 90;

COD ID: 4311974
CIF file	Formula: - C12 H32 Mn N4 O12 P4 - Comments: Kong; Dmitri G. Medvedev; Abraham Clearfield DOTP-Manganese and -Nickel Complexes: from a Tetrahedral Network with 12-Membered Rings to an Ionic Phosphonate Inorganic Chemistry 43 (2004) 7308-7314 Space group: P 4/n c c :2 Cell volume: 2145 Cell parameters: 12.349; 12.349; 14.066; 90; 90; 90;

COD ID: 4312070

Formula: - C55 H50 N9 O2 Ru2 -
Comments: Baocheng Han; Jianguo Shao; Zhongping Ou; Tuan D. Phan; Jing Shen; John L. Bear; Karl M. Kadish Synthesis and Characterization of Nitrosyl Diruthenium Complexes. Interaction between NO and CO across the Metal-Metal Bond Inorganic Chemistry 43 (2004) 7741-7751
Space group: P 4/n c c :2
Cell volume: 4770.9
Cell parameters: 14.178; 14.178; 23.734; 90; 90; 90;

COD ID: 4313165
CIF file	Formula: - C80 H100 B F4 Li N4 O8 P4 Pt2 - Comments: U. Anandhi; Todd Holbert; Dennis Lueng; Paul R. Sharp Platinum and Palladium Imido and Oxo Complexes with Small Natural Bite Angle Diphosphine Ligands Inorganic Chemistry 42 (2003) 1282-1295 Space group: P 4/n c c :2 Cell volume: 16744 Cell parameters: 24.3639; 24.3639; 28.208; 90; 90; 90;

COD ID: 4314948

Formula: - C37 H30 Fe Mn2 N10 O6 -
Comments: Chun Yang; Qing-Lun Wang; Yue Ma; Guo-Tao Tang; Dai-Zheng Liao; Shi-Ping Yan; Guang-Ming Yang; Peng Cheng Bimetallic Materials Derived from Manganese(III) Schiff Base Complexes and Pentacyanidonitrosylferrate(II) Precursor: Structures and Magnetic Properties Inorganic Chemistry 49 (2010) 2047-2056
Space group: P 4/n c c :2
Cell volume: 3712.3
Cell parameters: 14.767; 14.767; 17.024; 90; 90; 90;

COD ID: 4317119

Formula: - C31 H35 N3 O4 -
Comments: Elisabete Oliveira; Rosa M. F. Baptista; Susana P. G. Costa; M. Manuela M. Raposo; Carlos Lodeiro Exploring the Emissive Properties of New Azacrown Compounds Bearing Aryl, Furyl, or Thienyl Moieties: A Special Case of Chelation Enhancement of Fluorescence upon Interaction with Ca2+, Cu2+, or Ni2+ Inorganic Chemistry 49 (2010) 10847-10857
Space group: P 4/n c c :2
Cell volume: 12290.5
Cell parameters: 28.2016; 28.2016; 15.4533; 90; 90; 90;

COD ID: 4317581

Formula: - C45 H65 Cl6 La N4 O20 S4 -
Comments: Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties Inorganic Chemistry 41 (2002) 1007-1010
Space group: P 4/n c c :2
Cell volume: 7070.4
Cell parameters: 15.811; 15.811; 28.283; 90; 90; 90;

COD ID: 4317582

Formula: - C44 H68 Cl3 N4 O22 Pr S4 -
Comments: Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties Inorganic Chemistry 41 (2002) 1007-1010
Space group: P 4/n c c :2
Cell volume: 7019.8
Cell parameters: 15.7124; 15.7124; 28.4342; 90; 90; 90;

COD ID: 4317583

Formula: - C44 H68 Cl3 Eu N4 O22 S4 -
Comments: Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties Inorganic Chemistry 41 (2002) 1007-1010
Space group: P 4/n c c :2
Cell volume: 6982.9
Cell parameters: 15.6617; 15.6617; 28.468; 90; 90; 90;

COD ID: 4317584

Formula: - C44 H80 Cl3 N4 O28 S4 Y -
Comments: Xian-He Bu; Wei Weng; Miao Du; Wei Chen; Jian-Rong Li; Ruo-Hua Zhang; Li-Juan Zhao Novel Lanthanide(III) Coordination Polymers with 1,4-Bis(phenyl-sulfinyl)butane Forming Unique Lamellar Square Array: Syntheses, Crystal Structures, and Properties Inorganic Chemistry 41 (2002) 1007-1010
Space group: P 4/n c c :2
Cell volume: 6898.6
Cell parameters: 15.5776; 15.5776; 28.4289; 90; 90; 90;

COD ID: 4319104

Formula: - C37 H24 Br4 Fe Mn2 N10 O5 -
Comments: M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO] Inorganic Chemistry 40 (2001) 87-94
Space group: P 4/n c c :2
Cell volume: 3979
Cell parameters: 13.63; 13.63; 21.42; 90; 90; 90;

COD ID: 4319207

Formula: - C106 H123.5 B2 N12 O10 Zn2 -
Comments: David A. Shultz; Scot H. Bodnar; R. Krishna Kumar; Hyoyoung Lee; Jeff W. Kampf Molecular Structures of Carbonyl-Linked Bis(dioxolene) Complexes: Can a Carbonyl Group Act as an Effective Ferromagnetic Coupler? Inorganic Chemistry 40 (2001) 546-549
Space group: P 4/n c c :2
Cell volume: 22049.8
Cell parameters: 25.181; 25.181; 34.7744; 90; 90; 90;

COD ID: 4319248

Formula: - C41 H49 Cl3 O4 S4 -
Comments: Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners Inorganic Chemistry 40 (2001) 672-686
Space group: P 4/n c c :2
Cell volume: 4353
Cell parameters: 15.824; 15.824; 17.383; 90; 90; 90;

COD ID: 4320201
CIF file	Formula: - C13 H13 N2 Ni O4.75 - Comments: Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates Inorganic Chemistry 40 (2001) 4627-4632 Space group: P 4/n c c :2 Cell volume: 5656.2 Cell parameters: 20.089; 20.089; 14.0156; 90; 90; 90;

COD ID: 4320742
CIF file	Formula: - C57 H52 Cl8 N8 O Ru2 - Comments: Karl M. Kadish; Baocheng Han; Jianguo Shao; Zhongping Ou; John L. Bear Synthesis and Characterization of Diruthenium Complexes in Low Oxidation States. Formation of Mono- and Bis-CO Adducts Inorganic Chemistry 40 (2001) 6848-6851 Space group: P 4/n c c :2 Cell volume: 5800.8 Cell parameters: 15.9265; 15.9265; 22.8689; 90; 90; 90;

COD ID: 4321732
CIF file	Formula: - C70 H69 Cl Fe N10 O7 - Comments: Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Syntheses, Characterization, and Structural Studies of Several (Nitro)(nitrosyl)iron(III) Porphyrinates: [Fe(Porph)(NO2)(NO)] Inorganic Chemistry 38 (1999) 100-108 Space group: P 4/n c c :2 Cell volume: 6200 Cell parameters: 18.094; 18.094; 18.939; 90; 90; 90;

COD ID: 4321733
CIF file	Formula: - C70 H69 Cl Fe N10 O7 - Comments: Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Syntheses, Characterization, and Structural Studies of Several (Nitro)(nitrosyl)iron(III) Porphyrinates: [Fe(Porph)(NO2)(NO)] Inorganic Chemistry 38 (1999) 100-108 Space group: P 4/n c c :2 Cell volume: 6263.9 Cell parameters: 18.1172; 18.1172; 19.0838; 90; 90; 90;

COD ID: 4323149

Formula: - C13.5 H27 Cl6 O3.5 S3 W2 -
Comments: P. Michael Boorman; Naomi L. Langdon; Vivian J. Mozol; Masood Parvez; Glenn P. A. Yap Syntheses, Crystal Structures, Spectroscopic Characterization, and Electrochemical Studies of the Ditungsten(III) Complexes Cl~3~W(μ-L)~3~WCl~3~ and [Cl~3~W(μ-L)~2~(μ-Cl)WCl~3~]^-^ (L = 1,4-Dithiane, 1,4-Thioxane, pms = Pentamethylene Sulfide). C-S Bond Cleavage of the Bridging Thioether(s) in Cl~3~W(μ-L)~3~WCl~3~ Inorganic Chemistry 37 (1998) 6023-6029
Space group: P 4/n c c :2
Cell volume: 12394
Cell parameters: 25.7603; 25.7603; 18.6771; 90; 90; 90;

COD ID: 4323300

Formula: - C7 H16 I3.25 P -
Comments: Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures Inorganic Chemistry 36 (1997) 443-448
Space group: P 4/n c c :2
Cell volume: 5639
Cell parameters: 19.73; 19.73; 14.485; 90; 90; 90;

COD ID: 4323533

Formula: - C17 H27 F12 N8 O2 P2 Re -
Comments: Suzanne Bélanger; André L. Beauchamp Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups Inorganic Chemistry 36 (1997) 3640-3647
Space group: P 4/n c c :2
Cell volume: 2919.7
Cell parameters: 13.022; 13.022; 17.218; 90; 90; 90;

COD ID: 4323651

Formula: - H49 K9 N8 O57 V18 -
Comments: Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies Inorganic Chemistry 36 (1997) 5239-5250
Space group: P 4/n c c :2
Cell volume: 6461
Cell parameters: 13.317; 13.317; 36.435; 90; 90; 90;

COD ID: 4323653

Formula: - Br H48 K9 N8 O56 V18 -
Comments: Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies Inorganic Chemistry 36 (1997) 5239-5250
Space group: P 4/n c c :2
Cell volume: 6359.2
Cell parameters: 13.201; 13.201; 36.491; 90; 90; 90;

COD ID: 4323654

Formula: - H48 I K9 N8 O56 V18 -
Comments: Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies Inorganic Chemistry 36 (1997) 5239-5250
Space group: P 4/n c c :2
Cell volume: 6356
Cell parameters: 13.179; 13.179; 36.597; 90; 90; 90;

COD ID: 4323656

Formula: - H48 K9 N9 O58 V18 -
Comments: Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies Inorganic Chemistry 36 (1997) 5239-5250
Space group: P 4/n c c :2
Cell volume: 6369
Cell parameters: 13.206; 13.206; 36.519; 90; 90; 90;

COD ID: 4323903

Formula: - C80 H68 N17 Nd -
Comments: Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu) Inorganic Chemistry 35 (1996) 5798-5804
Space group: P 4/n c c :2
Cell volume: 6633.6
Cell parameters: 17.0545; 17.0545; 22.807; 90; 90; 90;

COD ID: 4323989
CIF file	Formula: - C59 H52 Cl N8 Tc2 - Comments: F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger Metal-Metal Multiply Bonded Complexes of Technetium. 5.1 Tris and Tetrakis(formamidinato) Complexes of Ditechnetium Inorganic Chemistry 35 (1996) 7350-7357 Space group: P 4/n c c :2 Cell volume: 5074 Cell parameters: 15.245; 15.245; 21.832; 90; 90; 90;

COD ID: 4324107
CIF file	Formula: - C30 Co N6 O8 - Comments: Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers Inorganic Chemistry 50 (2011) 172-177 Space group: P 4/n c c :2 Cell volume: 6822 Cell parameters: 17.302; 17.302; 22.789; 90; 90; 90;

COD ID: 4324108
CIF file	Formula: - C30 H10 Cd N6 O8 - Comments: Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers Inorganic Chemistry 50 (2011) 172-177 Space group: P 4/n c c :2 Cell volume: 7226 Cell parameters: 17.571; 17.571; 23.404; 90; 90; 90;

COD ID: 4324110
CIF file	Formula: - C22 H12 Fe N6 - Comments: Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers Inorganic Chemistry 50 (2011) 172-177 Space group: P 4/n c c :2 Cell volume: 7038.8 Cell parameters: 17.4656; 17.4656; 23.0745; 90; 90; 90;

COD ID: 4325688
CIF file	Formula: - C46 H72 Al2 N2 O4 - Comments: Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes Inorganic Chemistry 50 (2011) 6775-6787 Space group: P 4/n c c :2 Cell volume: 10592 Cell parameters: 23.795; 23.795; 18.707; 90; 90; 90;

COD ID: 4327086

Formula: - C32 H71 Cl3 La N8 O16 -
Comments: Luís M. P. Lima; Alexandre Lecointre; Jean-François Morfin; Andrés de Blas; Dimitris Visvikis; Loïc J. Charbonnière; Carlos Platas-Iglesias; Raphaël Tripier Positively Charged Lanthanide Complexes with Cyclen-Based Ligands: Synthesis, Solid-State and Solution Structure, and Fluoride Interaction Inorganic Chemistry 50 (2011) 12508-12521
Space group: P 4/n c c :2
Cell volume: 4891.9
Cell parameters: 14.2869; 14.2869; 23.9665; 90; 90; 90;

COD ID: 4329134

Formula: - C52 H48 Cr2 F4 Gd2 N16 O29 -
Comments: Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry Inorganic Chemistry 51 (2012) 5435-5443
Space group: P 4/n c c :2
Cell volume: 6412.1
Cell parameters: 17.5173; 17.5173; 20.896; 90; 90; 90;

COD ID: 4329667

Formula: - C37 H28 O24 Zn4 -
Comments: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks Inorganic Chemistry 51 (2012) 7484-7491
Space group: P 4/n c c :2
Cell volume: 8541.7
Cell parameters: 19.0396; 19.0396; 23.563; 90; 90; 90;

COD ID: 4333993

Formula: - C21 H34 N8 O14 Zn -
Comments: Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis Inorganic Chemistry 52 (2013) 2265-2267
Space group: P 4/n c c :2
Cell volume: 6023.6
Cell parameters: 19.707; 19.707; 15.51; 90; 90; 90;

COD ID: 4334344

Formula: - Al Mg4 Si3 -
Comments: Shidong Ji; Motoharu Imai; Haikui Zhu; Shoji Yamanaka Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions Inorganic Chemistry 52 (2013) 3953-3961
Space group: P 4/n c c :2
Cell volume: 610.77
Cell parameters: 6.7225; 6.7225; 13.515; 90; 90; 90;

COD ID: 4335680
CIF file	Formula: - C56 H66 Cu2 N12 Na2 O6 - Comments: Mohammad Reza Halvagar; William B. Tolman Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF Inorganic Chemistry 52 (2013) 8306-8308 Space group: P 4/n c c :2 Cell volume: 10878 Cell parameters: 27.702; 27.702; 14.175; 90; 90; 90;

COD ID: 4337322
CIF file	Formula: - C27 H20 N8 O4 Zn2 - Comments: Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers. Inorganic chemistry 53(3) (2014) 1500-1506 Space group: P 4/n c c :2 Cell volume: 9091.1 Cell parameters: 18.1524; 18.1524; 27.5897; 90; 90; 90;

COD ID: 4338418

Formula: - C528 H488 Cu8 N64 O56 -
Comments: Islas, María S; Martínez Medina, Juan J; López Tévez, Libertad L; Rojo, Teófilo; Lezama, Luis; Griera Merino, Mercedes; Calleros, Laura; Cortes, María A; Rodriguez Puyol, Manuel; Echeverría, Gustavo A; Piro, Oscar E.; Ferrer, Evelina G.; Williams, Patricia A. M. Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole. Inorganic chemistry 53(11) (2014) 5724-5737
Space group: P 4/n c c :2
Cell volume: 69221
Cell parameters: 47.335; 47.335; 30.894; 90; 90; 90;

COD ID: 4339177
CIF file	Formula: - Bi3 K3 P4 S16 - Comments: Gave, Matthew A.; Weliky, David P.; Kanatzidis, Mercouri G. New potassium bismuth thiophosphates including the modulated K(1.5)Bi(2.5)(PS4)(3). Inorganic chemistry 46(26) (2007) 11063-11074 Space group: P 4/n c c :2 Cell volume: 5891.8 Cell parameters: 21.0116; 21.0116; 13.3454; 90; 90; 90;

COD ID: 4341749

Formula: - C20 H16 Cl2 Co3 N8 O10 -
Comments: Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle. Inorganic chemistry (2014) 141202093155003
Space group: P 4/n c c :2
Cell volume: 2983.1
Cell parameters: 11.3528; 11.3528; 23.145; 90; 90; 90;

COD ID: 4344526
CIF file	Formula: - O9 P2 Si V - Comments: Rice, C.E.; Robinson, W.R.; Tofield, B.C. Crystal structure of a condensed phosphatosilicate, oxovanadium(IV)-diphosphatomonosilicate, V O (Si P2 O8) Inorganic Chemistry 15 (1976) 345-348 Space group: P 4/n c c :2 Cell volume: 624.857 Cell parameters: 8.747; 8.747; 8.167; 90; 90; 90;

COD ID: 4345024

Formula: - As2 Li4 O9 V -
Comments: Aranda, Miguel A. G.; Attfield, J. Paul; Bruque, Sebastian; Martinez-Lara, Maria Order and disorder of vanadyl chains: crystal structures of Vanadyl difydrogen arsenate (VO(H2AsO4)2) and the lithium derivative Li4VO(AsO4)2 Inorganic Chemistry 31 (1992) 1045-1049
Space group: P 4/n c c :2
Cell volume: 734.19
Cell parameters: 9.0293; 9.0293; 9.0053; 90; 90; 90;

COD ID: 4349720
CIF file	Formula: - C8 H11 Cd Cl2 Co N10 S2 - Comments: Liu, Yu-Ling; Zhang, Wen Cation-templated cyanometallate-based supramolecular rectangular cage compounds showing dielectric transitions Inorganic Chemistry Frontiers 4(8) (2017) 1304 Space group: P 4/n c c :2 Cell volume: 3899 Cell parameters: 15.026; 15.026; 17.267; 90; 90; 90;

COD ID: 4349984

Formula: - C180 H64 Cl8 N16 Y2 -
Comments: Wang, Chiming; Wang, Hailong; Liu, Chenxi; Qi, Dongdong; Jiang, Jianzhuang Molecular assembly-induced charge transfer between a mixed (phthalocyaninato)(porphyrinato) yttrium triple-decker and a fullerene Inorganic Chemistry Frontiers 6(3) (2019) 654
Space group: P 4/n c c :2
Cell volume: 15741.4
Cell parameters: 20.6353; 20.6353; 36.9677; 90; 90; 90;

COD ID: 4500465
CIF file	Formula: - C18 H11 Ag4 N O8 - Comments: Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer Crystal Growth & Design 11(5) (2011) 1427 Space group: P 4/n c c :2 Cell volume: 4105.36 Cell parameters: 11.967; 11.967; 28.6669; 90; 90; 90;

COD ID: 4502048

Formula: - C30 H20 Co N6 O5 S4 -
Comments: Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks Crystal Growth & Design 10(11) (2010) 4874
Space group: P 4/n c c :2
Cell volume: 3917.8
Cell parameters: 15.896; 15.896; 15.505; 90; 90; 90;

COD ID: 4502049

Formula: - C30 H20 N6 Ni O5 S4 -
Comments: Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks Crystal Growth & Design 10(11) (2010) 4874
Space group: P 4/n c c :2
Cell volume: 3839.7
Cell parameters: 15.6228; 15.6228; 15.732; 90; 90; 90;

COD ID: 4502473

Formula: - C58 H46 Br4 Cl5 N8 O12 Tb3 -
Comments: Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer Crystal Growth & Design 10(2) (2010) 970
Space group: P 4/n c c :2
Cell volume: 15811
Cell parameters: 25.992; 25.992; 23.403; 90; 90; 90;

COD ID: 4502474

Formula: - C58 H46 Br4 Cl5 Er3 N8 O12 -
Comments: Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer Crystal Growth & Design 10(2) (2010) 970
Space group: P 4/n c c :2
Cell volume: 15690
Cell parameters: 25.943; 25.943; 23.312; 90; 90; 90;

COD ID: 4502475

Formula: - C58 H46 Br4 Cl5 N8 O12 Yb3 -
Comments: Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer Crystal Growth & Design 10(2) (2010) 970
Space group: P 4/n c c :2
Cell volume: 15567
Cell parameters: 25.902; 25.902; 23.203; 90; 90; 90;

COD ID: 4502476

Formula: - C64 H52 Br4 Cl N8 O16 Yb3 -
Comments: Yang, Xiaoping; Jones, Richard A.; Wiester, Michael J.; Oye, Michael M.; Wong, Wai-Kwok Transformation of a Luminescent Benzimidazole-Based Yb3Cluster into a One-Dimensional Coordination Polymer Crystal Growth & Design 10(2) (2010) 970
Space group: P 4/n c c :2
Cell volume: 15282
Cell parameters: 25.912; 25.912; 22.76; 90; 90; 90;

COD ID: 4503875

Formula: - H4 O9 P2 V -
Comments: Sen, Rupam; Bera, Rajesh; Bhattacharjee, Ashis; Gütlich, Philipp; Ghosh, Soumen; Mukherjee, Alok K.; Koner, Subratanath Oxo-vanadium(IV) dihydrogen phosphate: preparation, magnetic study, and heterogeneous catalytic epoxidation. Langmuir : the ACS journal of surfaces and colloids 24(11) (2008) 5970-5975
Space group: P 4/n c c :2
Cell volume: 640.9
Cell parameters: 8.9632; 8.9632; 7.977; 90; 90; 90;

COD ID: 4505114

Formula: - C40 H48 Cl6 O16 Re6 S24 -
Comments: Perruchas, Sandrine; Boubekeur, Kamal; Batail, Patrick Hydrogen Bonds in Radical Cation Salts of TTF(CH2OH)4: First Complete Series with the Octahedral Rhenium Cluster Anions [Re6S8-nCl6+n]n-4(n= 0, 1, 2, 3) Crystal Growth & Design 5(4) (2005) 1585
Space group: P 4/n c c :2
Cell volume: 7003.9
Cell parameters: 16.393; 16.393; 26.063; 90; 90; 90;

COD ID: 4505216

Formula: - C20 H44 Cl2 Cu O12 S4 -
Comments: Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Ribas, Joan Flexible Disulfoxides as Bridging Ligands for Copper(II) Coordination Architectures: Fine Tuning the Complex Structures by Ligand Modifications Crystal Growth & Design 5(5) (2005) 1919
Space group: P 4/n c c :2
Cell volume: 3398.63
Cell parameters: 14.6317; 14.6317; 15.875; 90; 90; 90;

COD ID: 4507874
CIF file	Formula: - C24 H18 Cu F6 N4 O4 Si - Comments: Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation Crystal Growth & Design 13(6) (2013) 2670 Space group: P 4/n c c :2 Cell volume: 5323.5 Cell parameters: 18.2679; 18.2679; 15.9522; 90; 90; 90;

COD ID: 4509107

Formula: - C88 H72 Cd3 N20 O15 -
Comments: Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures Crystal Growth & Design 9(2) (2009) 1041
Space group: P 4/n c c :2
Cell volume: 9289
Cell parameters: 22.292; 22.292; 18.692; 90; 90; 90;

COD ID: 4509515

Formula: - C10 H20 Cl8 N4 O2 Re2 -
Comments: Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V. Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts Crystal Growth & Design 9(6) (2009) 2895
Space group: P 4/n c c :2
Cell volume: 2523.2
Cell parameters: 11.0058; 11.0058; 20.8311; 90; 90; 90;

COD ID: 4509594
CIF file	Formula: - C29 H36 Ca O20 P4 - Comments: Martin, Adam D.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L. Variable Intercalation of Calcium Ions in Bilayers of Partially Deprotonatedp-Phosphonic Acid Calix[4]arene Crystal Growth & Design 9(8) (2009) 3759 Space group: P 4/n c c :2 Cell volume: 3728.8 Cell parameters: 11.659; 11.659; 27.431; 90; 90; 90;

COD ID: 4511652

Formula: - C18 H10 Cu N O5 -
Comments: Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J. Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism Crystal Growth & Design 3(4) (2003) 513
Space group: P 4/n c c :2
Cell volume: 5963.5
Cell parameters: 18.7912; 18.7912; 16.8886; 90; 90; 90;

COD ID: 4511656

Formula: - C30 H28 Cu2 N2 O12 -
Comments: Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J. Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism Crystal Growth & Design 3(4) (2003) 513
Space group: P 4/n c c :2
Cell volume: 6182.9
Cell parameters: 18.8743; 18.8743; 17.356; 90; 90; 90;

COD ID: 4512188
CIF file	Formula: - C28 H20 Br2 Cu5 N16 O4 P - Comments: Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks Crystal Growth & Design 14(11) (2014) 5773 Space group: P 4/n c c :2 Cell volume: 3309.1 Cell parameters: 13.5883; 13.5883; 17.9216; 90; 90; 90;

COD ID: 4518652

Formula: - Ca0.2 Cu O10 Si4 Sr0.8 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 839.09
Cell parameters: 7.35482; 7.35482; 15.5119; 90; 90; 90;

COD ID: 4518653

Formula: - Ca0.4 Cu O10 Si4 Sr0.6 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 829
Cell parameters: 7.335; 7.335; 15.4083; 90; 90; 90;

COD ID: 4518654

Formula: - Ca0.3 Cu O10 Si4 Sr0.7 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 833.09
Cell parameters: 7.342; 7.342; 15.4547; 90; 90; 90;

COD ID: 4518655

Formula: - Ca0.1 Cu O10 Si4 Sr0.9 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 843.67
Cell parameters: 7.3633; 7.3633; 15.5607; 90; 90; 90;

COD ID: 4518656

Formula: - Ca Cu O10 Si4 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 805.8
Cell parameters: 7.2986; 7.2986; 15.1269; 90; 90; 90;

COD ID: 4518657

Formula: - Ca0.8 Cu O10 Si4 Sr0.2 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 814.59
Cell parameters: 7.31379; 7.31379; 15.2284; 90; 90; 90;

COD ID: 4518658

Formula: - Ba Cu O10 Si4 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 894.44
Cell parameters: 7.4432; 7.4432; 16.1448; 90; 90; 90;

COD ID: 4518659

Formula: - Ca0.7 Cu O10 Si4 Sr0.3 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 816.25
Cell parameters: 7.3129; 7.3129; 15.2631; 90; 90; 90;

COD ID: 4518660

Formula: - Ca0.9 Cu O10 Si4 Sr0.1 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 809.54
Cell parameters: 7.3033; 7.3033; 15.1774; 90; 90; 90;

COD ID: 4518661

Formula: - Ca0.6 Cu O10 Si4 Sr0.4 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 821.4
Cell parameters: 7.3223; 7.3223; 15.32; 90; 90; 90;

COD ID: 4518662

Formula: - Ca0.5 Cu O10 Si4 Sr0.5 -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 820.73
Cell parameters: 7.32; 7.32; 15.3171; 90; 90; 90;

COD ID: 4518663

Formula: - Cu O10 Si4 Sr -
Comments: Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi4O10 (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the Q ×f Value via Machine Learning. ACS applied materials & interfaces 13(15) (2021) 17817-17826
Space group: P 4/n c c :2
Cell volume: 847.41
Cell parameters: 7.3703; 7.3703; 15.5999; 90; 90; 90;

COD ID: 7000245
CIF file	Formula: - C44 H76 Hf O16 - Comments: Pothiraja, Ramasamy; Milanov, Andrian; Parala, Harish; Winter, Manuela; Fischer, Roland A.; Devi, Anjana Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films Dalton Transactions (issue 4) (2009) 654 Space group: P 4/n c c :2 Cell volume: 5151.3 Cell parameters: 14.7752; 14.7752; 23.5966; 90; 90; 90;

COD ID: 7001091

Formula: - C20 H20 Cu F4 Mo N4 O4 -
Comments: Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions Dalton Transactions (issue 17) (2009) 3280-3285
Space group: P 4/n c c :2
Cell volume: 1993.8
Cell parameters: 11.243; 11.243; 15.773; 90; 90; 90;

COD ID: 7001092

Formula: - C20 H20 Cu F5 N4 Nb O3 -
Comments: Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions Dalton Transactions (issue 17) (2009) 3280-3285
Space group: P 4/n c c :2
Cell volume: 2013.4
Cell parameters: 11.34; 11.34; 15.657; 90; 90; 90;

COD ID: 7003412
CIF file	Formula: - C28 H18 N2 O4 Zn - Comments: Cheng, Ai-Ling; Ma, Yu; Zhang, Jian-Yong; Gao, En-Qing Towards tuning the packing and entanglement of zigzag coordination chains by terminal ligands Dalton Transactions (issue 15) (2008) 1993-2004 Space group: P 4/n c c :2 Cell volume: 5177.3 Cell parameters: 16.1919; 16.1919; 19.7472; 90; 90; 90;

COD ID: 7007057

Formula: - C80 H68 Cl18 F6 N24 Ni6 O2 P -
Comments: Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+). Dalton transactions (Cambridge, England : 2003) (issue 26) (2006) 3249-3256
Space group: P 4/n c c :2
Cell volume: 10570.7
Cell parameters: 15.9683; 15.9683; 41.456; 90; 90; 90;

COD ID: 7007662

Formula: - C32 H56 Cl Mo2 N12 -
Comments: Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C. Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring. Dalton transactions (Cambridge, England : 2003) (issue 38) (2006) 4623-4631
Space group: P 4/n c c :2
Cell volume: 3524.4
Cell parameters: 14.1897; 14.1897; 17.504; 90; 90; 90;

COD ID: 7007728

Formula: - C60 H56 F6 N4 P Tl -
Comments: Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H. Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements. Dalton transactions (Cambridge, England : 2003) (issue 40) (2006) 4838-4844
Space group: P 4/n c c :2
Cell volume: 10404
Cell parameters: 26.501; 26.501; 14.814; 90; 90; 90;

COD ID: 7009196

Formula: - C28 H31 Cr N6 O Pt S4 -
Comments: Ken'ichi Kitano; Rika Tanaka; Takahiro Kimura; Toshiyuki Tsuda; Seiji Shimizu; Hideaki Takagi; Takanori Nishioka; Daisuke Shiomi; Akio Ichimura; Isamu Kinoshita; Kiyoshi Isobe; Shun'ichiro Ooi Lantern-type dinuclear CrIIIPtII and VIVPtII complexes bridged by pyridine-2-thiolate. Synthesis and characterization J. Chem. Soc., Dalton Trans. (issue 6) (2000) 995-1000
Space group: P 4/n c c :2
Cell volume: 3191.5
Cell parameters: 14.929; 14.9289; 14.32; 90; 90; 90;

COD ID: 7009197

Formula: - C24 H24 N4 O Pt S4 V -
Comments: Ken'ichi Kitano; Rika Tanaka; Takahiro Kimura; Toshiyuki Tsuda; Seiji Shimizu; Hideaki Takagi; Takanori Nishioka; Daisuke Shiomi; Akio Ichimura; Isamu Kinoshita; Kiyoshi Isobe; Shun'ichiro Ooi Lantern-type dinuclear CrIIIPtII and VIVPtII complexes bridged by pyridine-2-thiolate. Synthesis and characterization J. Chem. Soc., Dalton Trans. (issue 6) (2000) 995-1000
Space group: P 4/n c c :2
Cell volume: 3362.3
Cell parameters: 15.35; 15.35; 14.27; 90; 90; 90;

COD ID: 7010154

Formula: - C20 H22 Cu F6 N8 O3 Si -
Comments: Withersby, Matthew A.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Realf, Annabel L.; Teat, Simon J.; Schröder, Martin Engineering of co-ordination polymers of trans-4,4'-azobis(pyridine) and trans-1,2-bis(pyridin-4-yl)ethene: a range of interpenetrated network motifs Journal of the Chemical Society, Dalton Transactions (issue 19) (2000) 3261
Space group: P 4/n c c :2
Cell volume: 2438
Cell parameters: 10.767; 10.767; 21.03; 90; 90; 90;

COD ID: 7012793

Formula: - C27 H18 Fe2 N16 O -
Comments: Sugiyarto, Kristian H.; McHale, Wendy-Anne; Craig, Donald C.; Rae, A. David; Scudder, Marcia L.; Goodwin, Harold A. Spin transition centres linked by the nitroprusside ion. The cooperative transition in bis(2,6-bis(pyrazol-3-yl)pyridine)iron(ii) nitroprusside Dalton Transactions (issue 12) (2003) 2443
Space group: P 4/n c c :2
Cell volume: 3076.6
Cell parameters: 13.346; 13.346; 17.273; 90; 90; 90;

COD ID: 7015329

Formula: - C41.05 H58.1 Ni4 O20 -
Comments: Zhang, Shu-Hua; Li, Ning; Ge, Cheng-Min; Feng, Chao; Ma, Lu-Fang Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)} 2-hydroxy-3-alkoxy-benzaldehyde clusters. Dalton transactions (Cambridge, England : 2003) 40(12) (2011) 3000-3007
Space group: P 4/n c c :2
Cell volume: 5297
Cell parameters: 16.78; 16.78; 18.814; 90; 90; 90;

COD ID: 7015604

Formula: - C2 H10 F4 N2 O V -
Comments: Aidoudi, Farida H.; Byrne, Peter J.; Allan, Pheobe K.; Teat, Simon J.; Lightfoot, Philip; Morris, Russell E. Ionic liquids and deep eutectic mixtures as new solvents for the synthesis of vanadium fluorides and oxyfluorides. Dalton transactions (Cambridge, England : 2003) 40(16) (2011) 4324-4331
Space group: P 4/n c c :2
Cell volume: 1301.9
Cell parameters: 12.733; 12.733; 8.03; 90; 90; 90;

COD ID: 7018321

Formula: - C108.5 H89 Au4 Cl9 F24 P12 -
Comments: Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species. Dalton transactions (Cambridge, England : 2003) 41(16) (2012) 4789-4798
Space group: P 4/n c c :2
Cell volume: 11991.1
Cell parameters: 19.2584; 19.2584; 32.3309; 90; 90; 90;

COD ID: 7018796

Formula: - C21 H32 Cu F3 N8 O3 S Se4 -
Comments: Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L. Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds. Dalton transactions (Cambridge, England : 2003) 41(17) (2012) 5248-5259
Space group: P 4/n c c :2
Cell volume: 3301
Cell parameters: 14.406; 14.406; 15.906; 90; 90; 90;

COD ID: 7019952

Formula: - C8 H10 Ce N8 O5 W -
Comments: Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies. Dalton transactions (Cambridge, England : 2003) 41(35) (2012) 10690-10697
Space group: P 4/n c c :2
Cell volume: 1756.3
Cell parameters: 11.1891; 11.1891; 14.0286; 90; 90; 90;

COD ID: 7021473

Formula: - C20 H12 N O7 Zn2 -
Comments: Song, Xue-Zhi; Song, Shu-Yan; Zhao, Shu-Na; Hao, Zhao-Min; Zhu, Min; Meng, Xing; Zhang, Hong-Jie Two high-connected metal-organic frameworks based on d(10)-metal clusters: syntheses, structural topologies and luminescent properties. Dalton transactions (Cambridge, England : 2003) 42(23) (2013) 8183-8187
Space group: P 4/n c c :2
Cell volume: 8081.7
Cell parameters: 16.2782; 16.2782; 30.4992; 90; 90; 90;

COD ID: 7022588

Formula: - C46 H72 Co4 O22 -
Comments: Zhang, Kun; Dai, Jun; Wang, Yun-Hong; Zeng, Ming-Hua; Kurmoo, Mohamedally Microwave and traditional solvothermal syntheses, crystal structures, mass spectrometry and magnetic properties of Co(II)4O4 cubes. Dalton transactions (Cambridge, England : 2003) 42(15) (2013) 5439-5446
Space group: P 4/n c c :2
Cell volume: 5239.16
Cell parameters: 16.752; 16.752; 18.6693; 90; 90; 90;

COD ID: 7023745

Formula: - C24 H56 F19 O12 P3 S4 Sn2 -
Comments: Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures. Dalton transactions (Cambridge, England : 2003) 42(42) (2013) 15183-15190
Space group: P 4/n c c :2
Cell volume: 4856.5
Cell parameters: 17.656; 17.656; 15.5791; 90; 90; 90;

COD ID: 7024380

Formula: - C8 H24 F10 Nb2 S4 -
Comments: Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts. Dalton transactions (Cambridge, England : 2003) 39(3) (2010) 883-891
Space group: P 4/n c c :2
Cell volume: 2091.1
Cell parameters: 12.283; 12.283; 13.86; 90; 90; 90;

COD ID: 7028964

Formula: - C47 H58 Cl4 N6 O4 Ru2 -
Comments: Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes. Dalton transactions (Cambridge, England : 2003) 43(11) (2014) 4462-4473
Space group: P 4/n c c :2
Cell volume: 9744.19
Cell parameters: 24.4639; 24.4639; 16.2815; 90; 90; 90;

COD ID: 7038846

Formula: - K2 Se6 Sn2 Zn -
Comments: Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties. Dalton transactions (Cambridge, England : 2003) 45(18) (2016) 7627-7633
Space group: P 4/n c c :2
Cell volume: 1300.2
Cell parameters: 8.1511; 8.1511; 19.57; 90; 90; 90;

COD ID: 7051132

Formula: - C27 H24 Co N6 O S2 -
Comments: De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O New Journal of Chemistry (2001)
Space group: P 4/n c c :2
Cell volume: 3912
Cell parameters: 15.798; 15.798; 15.674; 90; 90; 90;

COD ID: 7051240
CIF file	Formula: - C85.5 H126.5 Cl N4.5 O12 - Comments: Schmidt, Christian; Paulus, Erich F.; Böhmer, Volker; Vogt, Walter Selective derivatisation of resorcarenes. Part 5. Acylation of tetrabenzoxazine derivatives New Journal of Chemistry 24(3) (2000) 123 Space group: P 4/n c c :2 Cell volume: 8255.27 Cell parameters: 22.0361; 22.0361; 17.0005; 90; 90; 90;

COD ID: 7051713

Formula: - C37 H28 Fe Mn2 N10 O6 -
Comments: Ababei, Rodica; Li, Yang-Guang; Roubeau, Olivier; Kalisz, Marguerite; Bréfuel, Nicolas; Coulon, Claude; Harté, Etienne; Liu, Xueting; Mathonière, Corine; Clérac, Rodolphe Bimetallic cyanido-bridged magnetic materials derived from manganese(iii) Schiff-base complexes and pentacyanidonitrosylferrate(ii) precursor New Journal of Chemistry 33(6) (2009) 1237
Space group: P 4/n c c :2
Cell volume: 3712.8
Cell parameters: 14.751; 14.751; 17.063; 90; 90; 90;

COD ID: 7053570
CIF file	Formula: - C28 H18 N2 O4 Zn - Comments: Kole, Goutam Kumar; Cairns, Amy J.; Eddaoudi, Mohamed; Vittal, Jagadese J. Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer New Journal of Chemistry 34(11) (2010) 2392 Space group: P 4/n c c :2 Cell volume: 5047.9 Cell parameters: 16.1598; 16.1598; 19.3303; 90; 90; 90;

COD ID: 7054620

Formula: - C10 H13 N4 O3 Zn -
Comments: Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis New J. Chem. 39(4) (2015) 2669
Space group: P 4/n c c :2
Cell volume: 4949.5
Cell parameters: 13.4761; 13.4761; 27.254; 90; 90; 90;

COD ID: 7101665

Formula: - C30 H24 N2 O5 S Zn -
Comments: Cheng, Ai-Ling; Liu, Na; Yue, Yan-Feng; Jiang, Yong-Wen; Gao, En-Qing; Yan, Chun-Hua; He, Ming-Yuan Unprecedented 3D entanglement of 1D zigzag coordination polymers leading to a robust microporous framework. Chemical communications (Cambridge, England) (issue 4) (2007) 407-409
Space group: P 4/n c c :2
Cell volume: 5275.7
Cell parameters: 16.0428; 16.0428; 20.4985; 90; 90; 90;

COD ID: 7106230
CIF file	Formula: - C91 H130 Cu4 N10 O40 - Comments: Chenrong Tan; Sihai Yang; Neil R. Champness; Xiang Lin; Alexander Blake; William Lewis; Martin Schroder High capacity gas storage by a 4,8-connected metal - organic polyhedral framework Chem.Commun. 47 (2011) 4487 Space group: P 4/n c c :2 Cell volume: 11988 Cell parameters: 18.9; 18.9; 33.561; 90; 90; 90;

COD ID: 7107952
CIF file	Formula: - C22 H32 Cl2 Mg2 N2 O3 - Comments: Chengzhong Cui; Roger A. Lalancette; Frieder Jakle The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate Chem.Commun. 48 (2012) 6930 Space group: P 4/n c c :2 Cell volume: 5436.21 Cell parameters: 17.1131; 17.1131; 18.5626; 90; 90; 90;

COD ID: 7111733

Formula: - C74 H72 O8 -
Comments: Farrugia, Louis J.; Gall, James H.; MacNicol, David D.; MacSween, Ross The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials Chemical Communications 46(29) (2010) 5241-5243
Space group: P 4/n c c :2
Cell volume: 7150.25
Cell parameters: 16.568; 16.568; 26.0484; 90; 90; 90;

COD ID: 7114028

Formula: - C33 H48 Eu F15 K2 N8 O27 S5 -
Comments: Gunnlaugsson, Thorfinnur; Davies, R. Jeremy H.; Nieuwenhuyzen, Mark; Stevenson, Clarke S.; Viguier, Romain; Mulready, Sinead Rapid hydrolytic cleavage of the mRNA model compound HPNP by glycine based macrocyclic lanthanide ribonuclease mimicsElectronic supplementary information (EI) available: full experimental details, Fig. S1???S6. See http://www.rsc.org./suppdata/cc/b2/b205349g/ Chemical Communications (issue 18) (2002) 2136
Space group: P 4/n c c :2
Cell volume: 6279
Cell parameters: 17.2721; 17.2721; 21.0475; 90; 90; 90;

COD ID: 7114437

Formula: - C32 H68 N4 Na8 O50 S V4 -
Comments: Drouza, Chryssoula; Tolis, Vagelis; Gramlich, Volker; Raptopoulou, Cathrine; Terzis, Aris; Sigalas, Michael P.; Kabanos, Themistoklis A.; Keramidas, Anastasios D. p-Hydroquinone???metal compounds: synthesis and crystal structure of two novel VV???p-hydroquinonate and VIV???p-semiquinonate speciesElectronic supplementary information (ESI) available: Fig. S1: four highest singly occupied molecular orbits (SOMOs) of 1. See http://www.rsc.org/suppdata/cc/b2/b207330g/ Chemical Communications (issue 23) (2002) 2786
Space group: P 4/n c c :2
Cell volume: 6645
Cell parameters: 23.307; 23.307; 12.233; 90; 90; 90;

COD ID: 7114975

Formula: - C60 H96 N8 Ni9 O45 -
Comments: Papaefstathiou, Giannis S.; Escuer, Albert; Vicente, Ramon; Font-Bardia, Merce; Solans, Xavier; Perlepes, Spyros P. Reactivity in polynuclear transition metal chemistry as a means to obtain high-spin molecules: substitution of µ4-OH‒ by η1,µ4-N3‒ increases nine times the ground-state S value of a nonanuclear nickel(ii) cage Chemical Communications (issue 23) (2001) 2414
Space group: P 4/n c c :2
Cell volume: 8639
Cell parameters: 17.785; 17.785; 27.313; 90; 90; 90;

COD ID: 7116265

Formula: - C79 H64 N10 O12 -
Comments: Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L. Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers. Chemical communications (Cambridge, England) 51(12) (2015) 2304-2307
Space group: P 4/n c c :2
Cell volume: 7224
Cell parameters: 21.6686; 21.6686; 15.3857; 90; 90; 90;

COD ID: 7123329

Formula: - C38 H72 Au3 Cl Mn N8 O4 -
Comments: Hill, Joshua A.; Murray, Claire A.; Tang, Chiu C.; Thygesen, Peter M. M.; Thompson, Amber L.; Goodwin, Andrew L. Inorganic co-crystal formation and thermal disproportionation in a dicyanometallate ‘superperovskite’ Chemical Communications (2019)
Space group: P 4/n c c :2
Cell volume: 9800.21
Cell parameters: 21.4048; 21.4048; 21.3901; 90; 90; 90;

COD ID: 7125878

Formula: - C349.68 H478.7 Ag18 O29.68 P8 S17 -
Comments: Tian, Fan; Chen, Rong Ag18(μ8-S)(p-TBBT)16(PPh3)8: symmetry breaking induced by the core to generate chirality. Chemical communications (Cambridge, England) 56(18) (2020) 2719-2722
Space group: P 4/n c c :2
Cell volume: 35697.8
Cell parameters: 26.6947; 26.6947; 50.0946; 90; 90; 90;

COD ID: 7200363
CIF file	Formula: - C120 H132 Mn8 N24 O28 - Comments: Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo 2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks CrystEngComm 11(5) (2009) 770 Space group: P 4/n c c :2 Cell volume: 21237 Cell parameters: 26.988; 26.988; 29.158; 90; 90; 90;

COD ID: 7200364
CIF file	Formula: - C120 H132 Mn8 N24 O28 - Comments: Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo 2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks CrystEngComm 11(5) (2009) 770 Space group: P 4/n c c :2 Cell volume: 21463 Cell parameters: 26.804; 26.804; 29.874; 90; 90; 90;

COD ID: 7200991
CIF file	Formula: - C46 H60 O10 - Comments: Salorinne, Kirsi; Nissinen, Maija Twisting of the resorcinarene core due to solvent effects upon crystallization CrystEngComm 11(8) (2009) 1572 Space group: P 4/n c c :2 Cell volume: 4353.8 Cell parameters: 16.4267; 16.4267; 16.135; 90; 90; 90;

COD ID: 7201013
CIF file	Formula: - C32 H80 Eu N O40 S4 - Comments: Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie; Li, Deqian Assembly of ‘discrete’ (H2O)16 water clusters within a supramolecular compound of calixarene CrystEngComm 11(7) (2009) 1213 Space group: P 4/n c c :2 Cell volume: 5756.1 Cell parameters: 13.6544; 13.6544; 30.8734; 90; 90; 90;

COD ID: 7203270
CIF file	Formula: - C176 H50 O5 - Comments: Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules CrystEngComm 8(4) (2006) 306 Space group: P 4/n c c :2 Cell volume: 10278.7 Cell parameters: 19.257; 19.257; 27.718; 90; 90; 90;

COD ID: 7205526
CIF file	Formula: - C46 H46 F6 N4 O3 S2 Si Zn - Comments: Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks CrystEngComm 13(3) (2011) 776 Space group: P 4/n c c :2 Cell volume: 4761.8 Cell parameters: 17.7892; 17.7892; 15.0473; 90; 90; 90;

COD ID: 7205527
CIF file	Formula: - C52 H40 Cl16 F6 N4 Si Zn - Comments: Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks CrystEngComm 13(3) (2011) 776 Space group: P 4/n c c :2 Cell volume: 6066.1 Cell parameters: 19.9188; 19.9188; 15.2892; 90; 90; 90;

COD ID: 7206061
CIF file	Formula: - C24 H36 Cu F6 N4 O10 Si - Comments: Wang, Sujuan; Li, Lei; Zhang, Jianyong; Yuan, Xiaochen; Su, Cheng-Yong Anion-tuned sorption and catalytic properties of a soft metal‒organic solid with polycatenated frameworks Journal of Materials Chemistry 21(20) (2011) 7098 Space group: P 4/n c c :2 Cell volume: 3367.13 Cell parameters: 13.5377; 13.5377; 18.3726; 90; 90; 90;

COD ID: 7206166

Formula: - C52 H44 Cl N8 O5.25 Ru2 -
Comments: Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A. Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands Green Chemistry 13(7) (2011) 1885
Space group: P 4/n c c :2
Cell volume: 4959.9
Cell parameters: 15.028; 15.028; 21.962; 90; 90; 90;

COD ID: 7211861
CIF file	Formula: - C17 H11 Cl Cu6 N12 O6 - Comments: Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides CrystEngComm 12(4) (2010) 1171 Space group: P 4/n c c :2 Cell volume: 5656.9 Cell parameters: 20.321; 20.321; 13.699; 90; 90; 90;

COD ID: 7214537

Formula: - C48 H22 Cl2 Cu F20 N8 O13 -
Comments: Banerjee, Subhabrata; Dastidar, Parthasarathi Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions CrystEngComm 15(45) (2013) 9415
Space group: P 4/n c c :2
Cell volume: 5339.5
Cell parameters: 16.085; 16.085; 20.6375; 90; 90; 90;

COD ID: 7214712

Formula: - C41 H115 N4 Na9 O56 P4 -
Comments: Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L. Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers CrystEngComm 14(24) (2012) 8541
Space group: P 4/n c c :2
Cell volume: 8192.4
Cell parameters: 16.1842; 16.1842; 31.2772; 90; 90; 90;

COD ID: 7218418

Formula: - C44 H68 Co4 O22 -
Comments: zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature RSC Adv. (2014)
Space group: P 4/n c c :2
Cell volume: 5443.7
Cell parameters: 17.0166; 17.0166; 18.7995; 90; 90; 90;

COD ID: 7219002
CIF file	Formula: - C6 H4.36 N3.36 O3 Zn - Comments: Yun, Ruirui; Cui, Ranran; Qian, Fujun; Cao, Xiaoyan; luo, shizhong; Zheng, Baishu Formation of a Metal-Organic Framework with High Gases Uptakes Based upon Amino-Decorated Polyhedral Cages RSC Adv. (2014) Space group: P 4/n c c :2 Cell volume: 4946.6 Cell parameters: 13.4537; 13.4537; 27.329; 90; 90; 90;

COD ID: 7219225

Formula: - C12 H7 F2 N2 Ni O4.5 -
Comments: Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks RSC Adv. (2015)
Space group: P 4/n c c :2
Cell volume: 5850.2
Cell parameters: 20.5004; 20.5004; 13.9201; 90; 90; 90;

COD ID: 7220377

Formula: - C39 H32 Fe Mn2 N10 O5 -
Comments: Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B. The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate CrystEngComm 17(20) (2015) 3866
Space group: P 4/n c c :2
Cell volume: 3820.86
Cell parameters: 14.5312; 14.5312; 18.095; 90; 90; 90;

COD ID: 7228067
CIF file	Formula: - C29 H32 Cl4 N8 - Comments: Morshedi, Mahbod; White, Nicholas G. Mixed halide/oxoanion-templated frameworks CrystEngComm 19(17) (2017) 2367 Space group: P 4/n c c :2 Cell volume: 3495.4 Cell parameters: 11.7352; 11.7352; 25.3812; 90; 90; 90;

COD ID: 7233160

Formula: - C14 H10 Br2 O4 S2 -
Comments: Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport Journal of Materials Chemistry C 1 (2013) 1467-1481
Space group: P 4/n c c :2
Cell volume: 3146
Cell parameters: 20.229; 20.229; 7.688; 90; 90; 90;

COD ID: 7235757

Formula: - C8 H6 N6 O4 Zn2 -
Comments: Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules J. Mater. Chem. A 2(36) (2014) 14827
Space group: P 4/n c c :2
Cell volume: 4261
Cell parameters: 13.673; 13.673; 22.794; 90; 90; 90;

COD ID: 7235758

Formula: - C12 H8 N7 O4 Zn2 -
Comments: Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules J. Mater. Chem. A 2(36) (2014) 14827
Space group: P 4/n c c :2
Cell volume: 4974
Cell parameters: 13.53; 13.53; 27.172; 90; 90; 90;

COD ID: 7236465

Formula: - C59 H43 N5 O2 -
Comments: Huang, Jau-Jiun; Yun, Lik-Ka; Kung, Te-Jen; Chen, Chi-Lin; Lee, Jiun-Haw; Wu, Yuh-Renn; Chiu, Tien-Lung; Chou, Pi-Tai; Leung, Man-kit Networking hole and electron hopping paths by Y-shaped host molecules: promoting blue phosphorescent organic light emitting diodes Journal of Materials Chemistry C 5(14) (2017) 3600
Space group: P 4/n c c :2
Cell volume: 17517.7
Cell parameters: 29.952; 29.952; 19.5265; 90; 90; 90;

COD ID: 7239484

Formula: - C42 H53 N3 O2 S4 -
Comments: Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures RSC Advances 4(19) (2014) 9608
Space group: P 4/n c c :2
Cell volume: 4159.1
Cell parameters: 15.3887; 15.3887; 17.563; 90; 90; 90;

COD ID: 7245438
CIF file	Formula: - C27 H32 Cu F6 N9 O5.5 Si - Comments: Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S. Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers CrystEngComm (2022) Space group: P 4/n c c :2 Cell volume: 4213 Cell parameters: 16.1144; 16.1144; 16.2242; 90; 90; 90;

COD ID: 7247273

Formula: - C17 H21 N7 O7 S2 Zn2 -
Comments: Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties CrystEngComm 25(36) (2023) 5174-5183
Space group: P 4/n c c :2
Cell volume: 5493.7
Cell parameters: 13.3634; 13.3634; 30.7634; 90; 90; 90;

COD ID: 7248354

Formula: - C20 H24 F12 N8 P2 Pd -
Comments: Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E. Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells RSC Advances 14(15) (2024) 10244-10254
Space group: P 4/n c c :2
Cell volume: 2931.5
Cell parameters: 13.4513; 13.4513; 16.2016; 90; 90; 90;

COD ID: 7701504

Formula: - C816.48 H1866.24 In112 N116.64 Se226.32 -
Comments: Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters. Dalton transactions (Cambridge, England : 2003) 48(29) (2019) 10799-10803
Space group: P 4/n c c :2
Cell volume: 35395
Cell parameters: 31.01; 31.01; 36.8077; 90; 90; 90;

COD ID: 7704597

Formula: - C37 H23 F10.5 N5.25 P1.25 Ru -
Comments: Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes. Dalton transactions (Cambridge, England : 2003) 49(21) (2020) 7044-7052
Space group: P 4/n c c :2
Cell volume: 14527.1
Cell parameters: 23.9804; 23.9804; 25.2619; 90; 90; 90;

COD ID: 7704598

Formula: - C37 H24 F9.5 N5.25 P1.25 Ru -
Comments: Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes. Dalton transactions (Cambridge, England : 2003) 49(21) (2020) 7044-7052
Space group: P 4/n c c :2
Cell volume: 14597.8
Cell parameters: 24.0261; 24.0261; 25.2884; 90; 90; 90;

COD ID: 7704666

Formula: - C272 H227 B3 Cl2 F12 N25 O8 Pd4 -
Comments: Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H. Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer. Dalton transactions (Cambridge, England : 2003) 49(27) (2020) 9404-9410
Space group: P 4/n c c :2
Cell volume: 29786
Cell parameters: 21.757; 21.757; 62.923; 90; 90; 90;

COD ID: 7704667

Formula: - C270 H224 B3 Cl2.5 F12 N24 O10 Pd4 -
Comments: Pullen, Sonja; Löffler, Susanne; Platzek, André; Holstein, Julian J.; Clever, Guido H. Substrate and product binding inside a stimuli-responsive coordination cage acting as a singlet oxygen photosensitizer. Dalton transactions (Cambridge, England : 2003) 49(27) (2020) 9404-9410
Space group: P 4/n c c :2
Cell volume: 30008
Cell parameters: 21.837; 21.837; 62.93; 90; 90; 90;

COD ID: 8101061
CIF file	Formula: - C2 H K5 N4 - Comments: Niewa, Rainer; Höhn, Peter; Kniep, Rüdiger; Weiske, Annette; Jacobs, Herbert Crystal structure of pentapotassium dicarbodiimide monohydride, K~5~[CN~2~]~2~H Zeitschrift für Kristallographie - New Crystal Structures 216(3) (2001) 335-336 Space group: P 4/n c c :2 Cell volume: 912.3 Cell parameters: 9.0953; 9.0953; 11.0291; 90; 90; 90;

COD ID: 8101452
CIF file	Formula: - Ba5 Ge3 - Comments: Nesper, Reinhard; Zürcher, Fabio Crystal structure of pentabarium trigermanide, Ba~5~Ge~3~ Zeitschrift für Kristallographie - New Crystal Structures 214(1) (1999) 22-22 Space group: P 4/n c c :2 Cell volume: 1201 Cell parameters: 8.519; 8.519; 16.554; 90; 90; 90;

COD ID: 8101454
CIF file	Formula: - Ba5 Si3 - Comments: Nesper, Reinhard; Zürcher, Fabio Refinement of the crystal structure of pentabarium trisilicide, Ba~5~Si~3~ Zeitschrift für Kristallographie - New Crystal Structures 214(1) (1999) 20-20 Space group: P 4/n c c :2 Cell volume: 1179 Cell parameters: 8.465; 8.465; 16.45; 90; 90; 90;

COD ID: 8102932
CIF file	Formula: - C1.25 B0.5 Pr1.25 - Comments: Babizhetskyy, V.; Mattausch, Hj.; Simon, A. Crystal structure of pentapraseodymium diboropentacarbide, Pr~5~B~2~C~5~ Zeitschrift für Kristallographie - New Crystal Structures 221(1) (2006) 1-2 Space group: P 4/n c c :2 Cell volume: 782.91 Cell parameters: 8.448; 8.448; 10.97; 90; 90; 90;

COD ID: 8102970
CIF file	Formula: - Ca5 Co2 N4 - Comments: Bendyna, Joanna K.; Höhn, Peter; Kniep, Rüdiger Crystal structure of pentacalcium bis(dinitridocobaltate(I)), Ca~5~ [CoN~2~]~2~, and a note on "Ca~3~CoN~3~" Zeitschrift für Kristallographie - New Crystal Structures 222(3) (2007) 165-166 Space group: P 4/n c c :2 Cell volume: 791.937 Cell parameters: 8.0767; 8.0767; 12.14011; 90; 90; 90;

COD ID: 8102971
CIF file	Formula: - Ba0.5 Ca2 Co N2 - Comments: Bendyna, Joanna K.; Höhn, Peter; Prots, Yurii; Kniep, Rüdiger Crystal structure of barium tetracalcium bis(dinitridocobaltate(I)), BaCa~4~[CoN~2~]~2~ Zeitschrift für Kristallographie - New Crystal Structures 222(3) (2007) 167-168 Space group: P 4/n c c :2 Cell volume: 850.42 Cell parameters: 8.3422; 8.3422; 12.2201; 90; 90; 90;

COD ID: 8107631

Formula: - Co2 N4 Sr5 -
Comments: Ovchinnikov, Alexander; Höhn, Peter; Borrmann, Horst; Kazancioğlu, Monika; Kniep, Rüdiger Crystal structure of pentastrontium bis(dinitridocobaltate(I)), Sr5[CoN2]2, Co2N4Sr5 Zeitschrift für Kristallographie - New Crystal Structures 230(1) (2015) 3-4
Space group: P 4/n c c :2
Cell volume: 935.97
Cell parameters: 8.673; 8.673; 12.443; 90; 90; 90;

COD ID: 9000878
CIF file	Formula: - Ba Fe O10 Si4 - Comments: Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 1 bar American Mineralogist 68 (1983) 595-603 Space group: P 4/n c c :2 Cell volume: 908.144 Cell parameters: 7.51605; 7.51605; 16.0759; 90; 90; 90;

COD ID: 9000879
CIF file	Formula: - Ba Fe O10 Si4 - Comments: Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 9 kbar American Mineralogist 68 (1983) 595-603 Space group: P 4/n c c :2 Cell volume: 894.882 Cell parameters: 7.492; 7.492; 15.943; 90; 90; 90;

COD ID: 9001855
CIF file	Formula: - Ba Cr O10 Si4 - Comments: Miletich, R.; Allan, D. R.; Angel, R. J. The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series BaCrSi4O10 American Mineralogist 82 (1997) 697-707 Space group: P 4/n c c :2 Cell volume: 910.49 Cell parameters: 7.5314; 7.5314; 16.0518; 90; 90; 90;

COD ID: 9001856
CIF file	Formula: - Cr O10 Si4 Sr - Comments: Miletich, R.; Allan, D. R.; Angel, R. J. The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series SrCrSi4O10 American Mineralogist 82 (1997) 697-707 Space group: P 4/n c c :2 Cell volume: 864.023 Cell parameters: 7.4562; 7.4562; 15.5414; 90; 90; 90;

COD ID: 9001857
CIF file	Formula: - Ca Cr O10 Si4 - Comments: Miletich, R.; Allan, D. R.; Angel, R. J. The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series CaCrSi4O10 American Mineralogist 82 (1997) 697-707 Space group: P 4/n c c :2 Cell volume: 823.046 Cell parameters: 7.3772; 7.3772; 15.1231; 90; 90; 90;

COD ID: 9004851
CIF file	Formula: - Na O9 P U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: NaUP The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 836.86 Cell parameters: 6.9616; 6.9616; 17.2677; 90; 90; 90;

COD ID: 9004852
CIF file	Formula: - As Na O9 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: NaUAs The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 885.796 Cell parameters: 7.1504; 7.1504; 17.325; 90; 90; 90;

COD ID: 9004853
CIF file	Formula: - As K0.908 O9.092 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: KUAs The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 917.729 Cell parameters: 7.1669; 7.1669; 17.867; 90; 90; 90;

COD ID: 9004854
CIF file	Formula: - O9.252 P Rb0.748 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: RbUP The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 883.553 Cell parameters: 7.0106; 7.0106; 17.9772; 90; 90; 90;

COD ID: 9004856
CIF file	Formula: - Ag0.872 O9.128 P U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: AgUP The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 813.875 Cell parameters: 6.9332; 6.9332; 16.9313; 90; 90; 90;

COD ID: 9004857
CIF file	Formula: - Ag0.932 As O9.068 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: AgUAs The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 856.859 Cell parameters: 7.0901; 7.0901; 17.0453; 90; 90; 90;

COD ID: 9004858
CIF file	Formula: - O9.02 P Tl0.98 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: TlUP The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 885.809 Cell parameters: 7.019; 7.019; 17.98; 90; 90; 90;

COD ID: 9004859
CIF file	Formula: - As O7.008 Tl2.992 U - Comments: Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M. Monovalent cations in structures of the meta-autunite group Sample: TlUAs The Canadian Mineralogist 42 (2004) 973-996 Space group: P 4/n c c :2 Cell volume: 929.108 Cell parameters: 7.1905; 7.1905; 17.97; 90; 90; 90;

COD ID: 9007703
CIF file	Formula: - As D9 O10 U - Comments: Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F. The room-temperature structure of DUO2AsO44D2O by powder neutron diffraction Locality: synthetic Acta Crystallographica, Section C 39 (1983) 159-162 Space group: P 4/n c c :2 Cell volume: 904.653 Cell parameters*: 7.1615; 7.1615; 17.639; 90; 90; 90;

COD ID: 9009760

Formula: - Cu O10 Si4 Sr -
Comments: Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A. Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure Journal of Solid State Chemistry 103 (1993) 105-113
Space group: P 4/n c c :2
Cell volume: 846.983
Cell parameters: 7.3707; 7.3707; 15.5904; 90; 90; 90;

COD ID: 9009761

Formula: - Ba Cu O10 Si4 -
Comments: Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A. Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure Journal of Solid State Chemistry 103 (1993) 105-113
Space group: P 4/n c c :2
Cell volume: 893.441
Cell parameters: 7.4409; 7.4409; 16.1367; 90; 90; 90;

COD ID: 9009762

Formula: - Ca Cu O10 Si4 -
Comments: Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A. Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure Journal of Solid State Chemistry 103 (1993) 105-113
Space group: P 4/n c c :2
Cell volume: 806.669
Cell parameters: 7.3017; 7.3017; 15.1303; 90; 90; 90;

COD ID: 9009829
CIF file	Formula: - Cl Cu7 K O24 S5 Te - Comments: Pertlik, F.; Zemann, J. The crystal structure of nabokoite, Cu7TeO4(SO4)5KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry Mineralogy and Petrology 38 (1988) 291-298 Space group: P 4/n c c :2 Cell volume: 1990.9 Cell parameters*: 9.833; 9.833; 20.591; 90; 90; 90;

COD ID: 9010625
CIF file	Formula: - H8 K Np O9 P - Comments: Forbes, T. Z.; Burns, P. C. The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: KP1 The Canadian Mineralogist 45 (2007) 471-477 Space group: P 4/n c c :2 Cell volume: 862.627 Cell parameters: 6.9564; 6.9564; 17.826; 90; 90; 90;

COD ID: 9010626
CIF file	Formula: - H16 Na Np O9 P - Comments: Forbes, T. Z.; Burns, P. C. The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: NaP1 The Canadian Mineralogist 45 (2007) 471-477 Space group: P 4/n c c :2 Cell volume: 833.503 Cell parameters: 7.005; 7.005; 16.986; 90; 90; 90;

COD ID: 9010627
CIF file	Formula: - H4 Np O9 P Rb - Comments: Forbes, T. Z.; Burns, P. C. The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: RbP1 The Canadian Mineralogist 45 (2007) 471-477 Space group: P 4/n c c :2 Cell volume: 883.403 Cell parameters: 7.031; 7.031; 17.87; 90; 90; 90;

COD ID: 9010628
CIF file	Formula: - H4 N Np O9 P - Comments: Forbes, T. Z.; Burns, P. C. The crystal structures of X(NpO2)(PO4)(H2O)3 (X = K+, Na+, Rb+, NH4+) and their relationship to the autunite group Sample: NH4P1 The Canadian Mineralogist 45 (2007) 471-477 Space group: P 4/n c c :2 Cell volume: 879.17 Cell parameters: 6.9843; 6.9843; 18.023; 90; 90; 90;

COD ID: 9010785

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.992
Cell parameters: 7.39675; 7.39675; 15.8465; 90; 90; 90;

COD ID: 9010786
CIF file	Formula: - Ba0.5 Cu O12 Si4 Sr0.5 - Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K European Journal of Mineralogy 19 (2007) 189-200 Space group: P 4/n c c :2 Cell volume: 866.916 Cell parameters: 7.3964; 7.3964; 15.8466; 90; 90; 90;

COD ID: 9010787

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.841
Cell parameters: 7.39601; 7.39601; 15.8469; 90; 90; 90;

COD ID: 9010788

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.752
Cell parameters: 7.39533; 7.39533; 15.8482; 90; 90; 90;

COD ID: 9010789

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.753
Cell parameters: 7.39482; 7.39482; 15.8504; 90; 90; 90;

COD ID: 9010790

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.835
Cell parameters: 7.39447; 7.39447; 15.8534; 90; 90; 90;

COD ID: 9010791

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 867.004
Cell parameters: 7.39428; 7.39428; 15.8573; 90; 90; 90;

COD ID: 9010792

Formula: - Ba0.5 Cu O12 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 867.259
Cell parameters: 7.39425; 7.39425; 15.8621; 90; 90; 90;

COD ID: 9011340
CIF file	Formula: - D6 H4 N O9 P U - Comments: Fitch, A. N.; Fender, B. E. F. The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO43D2O by powder neutron diffraction Acta Crystallographica, Section C 39 (1983) 162-166 Space group: P 4/n c c :2 Cell volume: 892.075 Cell parameters*: 7.0221; 7.0221; 18.0912; 90; 90; 90;

COD ID: 9011526
CIF file	Formula: - As Cu0.5 H4 O10 U - Comments: Hennig, C.; Reck, G.; Reich, T.; Robberg, A.; Kraus, W.; Sieler, J. EXAFS and XRD investigations of zeunerite and meta-zeunerite Sample: Ordered Zeitschrift fur Kristallographie 218 (2003) 37-45 Space group: P 4/n c c :2 Cell volume: 879.726 Cell parameters: 7.1065; 7.1065; 17.4195; 90; 90; 90;

COD ID: 9014060

Formula: - As H7.5 K0.5 O9.5 U -
Comments: Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample: Abernathyite - K(H3O) American Mineralogist 49 (1964) 1578-1602
Space group: P 4/n c c :2
Cell volume: 928.087
Cell parameters: 7.171; 7.171; 18.048; 90; 90; 90;

COD ID: 9014181
CIF file	Formula: - Ba0.5 Cu O10 Si4 Sr0.5 - Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 25 K European Journal of Mineralogy 19 (2007) 189-200 Space group: P 4/n c c :2 Cell volume: 866.916 Cell parameters: 7.3964; 7.3964; 15.8466; 90; 90; 90;

COD ID: 9014206

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.752
Cell parameters: 7.39533; 7.39533; 15.8482; 90; 90; 90;

COD ID: 9014290

Formula: - As H10 N O9 U -
Comments: Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O Sample : Abernathyite - NH4 American Mineralogist 49 (1964) 1578-1602
Space group: P 4/n c c :2
Cell volume: 940.142
Cell parameters: 7.189; 7.189; 18.191; 90; 90; 90;

COD ID: 9014293

Formula: - H6 Na O9 P U -
Comments: Mills, S. J.; Kampf, A. R.; Birch, W. D. The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths American Mineralogist 97 (2012) 735-738
Space group: P 4/n c c :2
Cell volume: 856.402
Cell parameters: 6.9935; 6.9935; 17.5101; 90; 90; 90;

COD ID: 9014338

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 300 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 867.259
Cell parameters: 7.39425; 7.39425; 15.8621; 90; 90; 90;

COD ID: 9014506
CIF file	Formula: - Ba0.821 Cu O10 Si4 Sr0.179 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 882.954 Cell parameters: 7.41932; 7.41932; 16.0402; 90; 90; 90;

COD ID: 9014581

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.835
Cell parameters: 7.39447; 7.39447; 15.8534; 90; 90; 90;

COD ID: 9014617

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.841
Cell parameters: 7.39601; 7.39601; 15.8469; 90; 90; 90;

COD ID: 9014690
CIF file	Formula: - Ba0.276 Cu O10 Si4 Sr0.724 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 855.925 Cell parameters: 7.37735; 7.37735; 15.7266; 90; 90; 90;

COD ID: 9014924
CIF file	Formula: - Ba0.105 Cu O10 Si4 Sr0.895 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 848.896 Cell parameters: 7.36858; 7.36858; 15.6346; 90; 90; 90;

COD ID: 9014931
CIF file	Formula: - Ba Cu O10 Si4 - Comments: Giester, G.; Rieck, B. Effenbergerite, BaCu[Si4O10], a new mineral from the Kalahari Manganese Field, South Africa: description and crystal structure Mineralogical Magazine 58 (1994) 663-670 Space group: P 4/n c c :2 Cell volume: 893.5 Cell parameters: 7.442; 7.442; 16.133; 90; 90; 90;

COD ID: 9014975
CIF file	Formula: - Ba0.636 Cu O10 Si4 Sr0.364 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 873.347 Cell parameters: 7.403; 7.403; 15.9357; 90; 90; 90;

COD ID: 9015079
CIF file	Formula: - Ba0.193 Cu O10 Si4 Sr0.807 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 853.446 Cell parameters: 7.3752; 7.3752; 15.6902; 90; 90; 90;

COD ID: 9015091

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 250 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 867.004
Cell parameters: 7.39428; 7.39428; 15.8573; 90; 90; 90;

COD ID: 9015184
CIF file	Formula: - Ba0.402 Cu O10 Si4 Sr0.598 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 863.853 Cell parameters: 7.38801; 7.38801; 15.8265; 90; 90; 90;

COD ID: 9015338
CIF file	Formula: - Ba Cu O10 Si4 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 891.91 Cell parameters: 7.43602; 7.43602; 16.1302; 90; 90; 90;

COD ID: 9015737
CIF file	Formula: - Ba0.492 Cu O10 Si4 Sr0.508 - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 865.251 Cell parameters: 7.38813; 7.38813; 15.8516; 90; 90; 90;

COD ID: 9015853
CIF file	Formula: - Cu O10 Si4 Sr - Comments: Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000 European Journal of Mineralogy 22 (2010) 411-423 Space group: P 4/n c c :2 Cell volume: 845.709 Cell parameters: 7.36657; 7.36657; 15.5844; 90; 90; 90;

COD ID: 9015986
CIF file	Formula: - As H6 K O9 U - Comments: Ross, M.; Evans, H. T. Studies of the torbernite minerals (I): The crystal structure of abernathyite and the structurally related compounds NH4(UO2AsO4).3H2O and K(H3O)(UO2AsO4)2.6H2O American Mineralogist 49 (1964) 1578-1602 Space group: P 4/n c c :2 Cell volume: 933.398 Cell parameters: 7.176; 7.176; 18.126; 90; 90; 90;

COD ID: 9016000

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 5 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.992
Cell parameters: 7.39675; 7.39675; 15.8465; 90; 90; 90;

COD ID: 9016109

Formula: - Ba0.5 Cu O10 Si4 Sr0.5 -
Comments: Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K European Journal of Mineralogy 19 (2007) 189-200
Space group: P 4/n c c :2
Cell volume: 866.753
Cell parameters: 7.39482; 7.39482; 15.8504; 90; 90; 90;

COD ID: 9016325
CIF file	Formula: - H8 O10 P U - Comments: Morosin, B. Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte Acta Crystallographica, Section B 34 (1978) 3732-3734 Space group: P 4/n c c :2 Cell volume: 855.835 Cell parameters: 6.995; 6.995; 17.491; 90; 90; 90;

COD ID: 9017228