Crystallography Open Database

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Searching space group like 'P 1 a 1'

COD ID: 1530784
CIF file	Formula: - Cl9 Cu5 Rb4 - Comments: Sishen, X.; Geller, S. Crystal structure of Rb4 Cu5 Cl9 Journal of Solid State Chemistry 63 (1986) 326-335 Space group: P 1 a 1 Cell volume: 1883.92 Cell parameters: 15.694; 8.544; 14.66; 90; 106.59; 90;

COD ID: 1541316
CIF file	Formula: - Al Li O4 Si - Comments: Norby, P. Thermal transformation of zeolite Li-A(BW). The crystal structure of gamma-eucryptite, a polymorph of Li Al Si O4 Zeolites 10 (1990) 193-199 Space group: P 1 a 1 Cell volume: 326.787 Cell parameters: 8.228; 5.032; 8.274; 90; 107.46; 90;

COD ID: 1558440
CIF file	Formula: - C30 H32 Fe2 O - Comments: Bozak, Richard E.; Hicks, Ronald J.; Husebye, Steinar; Maartmann-Moe, Knut; Rennels, Roger Synthesis and Crystal Structure of 1-Ethoxyferrocenylmethyl-3-ferrocenylmethylene-1-cyclohexene, C30H32OFe2 Acta Chemica Scandinavica 48 (1994) 404-407 Space group: P 1 a 1 Cell volume: 1179.4 Cell parameters: 11.597; 7.436; 13.689; 90; 92.5; 90;

COD ID: 2007221
CIF file Original IUCr paper	Formula: - C18 H15 Br2 Sb - Comments: Webster, Michael Dibromotriphenylantimony(V), a Second Polymorph Acta Crystallographica Section C 54(5) (1998) 570-572 Space group: P 1 a 1 Cell volume: 1721.3 Cell parameters: 13.714; 10.159; 14.006; 90; 118.1; 90;

COD ID: 2010355

CIF file

Original IUCr paper

Formula: - C10 H20 Mo2 N2 Na2 O16 -
Comments: Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M. Disodium μ-(Ethylenediaminetetraacetato-N,O,O':N',O'',O''')-di-μ-oxo-bis[oxomolybdate(V)](Mo—Mo) Tetrahydrate Acta Crystallographica Section C 51(1) (1995) 32-34
Space group: P 1 a 1
Cell volume: 1078
Cell parameters: 7.54; 16.761; 8.65; 90; 99.56; 90;

COD ID: 2100953

CIF file

Original IUCr paper

Formula: - C8 H16 Cl3 O4 Sb -
Comments: Alcock, N. W.; Ravindran, M.; Willey, G. R. Preparations and structural correlations for the complexes of M^III^ halides (M = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands Acta Crystallographica Section B 49(3) (1993) 507-514
Space group: P 1 a 1
Cell volume: 1430.3
Cell parameters: 14.988; 7.938; 12.022; 90; 90.49; 90;

COD ID: 2214401

CIF file

HKL data

Original IUCr paper

Formula: - C4 H14 Na2 O9 S4 -
Comments: Bambagiotti-Alberti, Massimo; Bartolucci, Gianluca; Bruni, Bruno; Di Vaira, Massimo; Passaponti, Maurizio Disodium 2,2'-dithiobis(ethanesulfonate) trihydrate (dimesna trihydrate) Acta Crystallographica Section E 63(7) (2007) m1948-m1948
Space group: P 1 a 1
Cell volume: 699.58
Cell parameters: 5.7328; 10.9152; 11.2665; 90; 97.106; 90;

COD ID: 2310436
CIF file	Formula: - Al Li O10 Si4 - Comments: Liebau, F. Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. III. Zur Kristallstruktur von Petalit, Li Al Si4 O10 Acta Crystallographica (1,1948-23,1967) 14 (1961) 399-406 Space group: P 1 a 1 Cell volume: 425.847 Cell parameters: 11.76; 5.14; 7.62; 90; 112.4; 90;

COD ID: 4021224
CIF file	Formula: - C30 H30 N O P - Comments: Takahiro Nishimura; Yoshiki Nishiguchi; Yasunari Maeda; Sakae Uemura Palladium-Catalyzed Transformation of Cyclobutanone O-Benzoyloximes to Nitriles via C-C Bond Cleavage Journal of Organic Chemistry 69 (2004) 5342-5347 Space group: P 1 a 1 Cell volume: 1304.93 Cell parameters: 11.4839; 13.9771; 11.4027; 90; 45.477; 90;

COD ID: 4060666
CIF file	Formula: - C18 H14 - Comments: Organometallics (2006) Space group: P 1 a 1 Cell volume: 1309.1 Cell parameters: 12.897; 5.7782; 17.568; 90; 90.649; 90;

COD ID: 4107757

CIF file

Formula: - C22 H34 Cu N7 O2 -
Comments: Masato Kujime; Chiemi Izumi; Masaaki Tomura; Masahiko Hada; Hiroshi Fujii Effect of a Tridentate Ligand on the Structure, Electronic Structure, and Reactivity of the Copper(I) Nitrite Complex: Role of the Conserved Three-Histidine Ligand Environment of the Type-2 Copper Site in Copper-Containing Nitrite Reductases Journal of the American Chemical Society 130 (2008) 6088-6098
Space group: P 1 a 1
Cell volume: 1174.6
Cell parameters: 9.409; 13.841; 9.811; 90; 113.179; 90;

COD ID: 4109988
CIF file	Formula: - C13 H11 N - Comments: Shinji Yamada; Naoko Uematsu; Kaori Yamashita Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines Journal of the American Chemical Society 129 (2007) 12100-12101 Space group: P 1 a 1 Cell volume: 507.72 Cell parameters: 11.261; 7.6685; 5.8855; 90; 92.597; 90;

COD ID: 4112217

CIF file

Formula: - C17 H23 N O2 -
Comments: Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension Journal of the American Chemical Society 126 (2004) 1764-1771
Space group: P 1 a 1
Cell volume: 774.74
Cell parameters: 11.0534; 4.8418; 15.1842; 90; 107.566; 90;

COD ID: 4112219

CIF file

Formula: - C17 H21 N O2 -
Comments: Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension Journal of the American Chemical Society 126 (2004) 1764-1771
Space group: P 1 a 1
Cell volume: 730.37
Cell parameters: 11.104; 4.7946; 13.722; 90; 91.274; 90;

COD ID: 4117917

CIF file

Formula: - C32 H27 N2 O6 S12 -
Comments: Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors Journal of the American Chemical Society 134 (2012) 7880-7891
Space group: P 1 a 1
Cell volume: 1840.5
Cell parameters: 14.69; 6.6624; 18.941; 90; 96.85; 90;

COD ID: 4121588

CIF file

Formula: - C24 Ca2 O23 P3 -
Comments: Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity. Journal of the American Chemical Society 136(15) (2014) 5731
Space group: P 1 a 1
Cell volume: 3604.08
Cell parameters: 23.0652; 6.97311; 22.4165; 90; 91.54; 90;

COD ID: 4123260

CIF file

Formula: - C38 H52 N4 Si4 -
Comments: Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties. Journal of the American Chemical Society 137(3) (2015) 1024-1027
Space group: P 1 a 1
Cell volume: 2028.3
Cell parameters: 7.2051; 23.8974; 11.7957; 90; 92.966; 90;

COD ID: 4127192

CIF file

Formula: - C16 H56 I20 N8 Pb6 -
Comments: Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G. Hybrid Dion-Jacobson 2D Lead Iodide Perovskites. Journal of the American Chemical Society (2018)
Space group: P 1 a 1
Cell volume: 1808.82
Cell parameters: 8.862; 8.862; 23.032; 90; 90; 90;

COD ID: 4131274

CIF file

Formula: - C45 H41 Cl6 Ga2 N3 O1.5 P2 -
Comments: Takaya, Jun; Iwasawa, Nobuharu Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO2. Journal of the American Chemical Society 139(17) (2017) 6074-6077
Space group: P 1 a 1
Cell volume: 4621
Cell parameters: 16.2505; 18.0456; 16.419; 90; 106.315; 90;

COD ID: 4301455
CIF file	Formula: - C5 H7 N9 - Comments: Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts Inorganic Chemistry 48 (2009) 1731-1743 Space group: P 1 a 1 Cell volume: 442.48 Cell parameters: 7.0921; 7.2893; 8.8671; 90; 105.141; 90;

COD ID: 4331500

CIF file

Formula: - C26 H22 Cl2 Cu N6 O4 S4 -
Comments: González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides. Inorganic chemistry 44(25) (2005) 9424-9433
Space group: P 1 a 1
Cell volume: 1488.1
Cell parameters: 12.533; 12.203; 10.466; 90; 111.616; 90;

COD ID: 4515391

CIF file

Formula: - C56 H62 N4 O4 S Si4 -
Comments: Usuki, Tsukasa; Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Tada, Hirokazu; Kasai, Hidetaka; Nishibori, Eiji; Nishihara, Hiroshi Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality. ACS applied materials & interfaces 10(15) (2018) 12164-12172
Space group: P 1 a 1
Cell volume: 2651
Cell parameters: 13.859; 7.4399; 25.933; 90; 97.511; 90;

COD ID: 7013880

CIF file

Formula: - C24 H64 N4 P6 Si4 -
Comments: Bezombes, Jean-Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Nycz, Jacek E. Synthesis and P-P cleavage reactions of [P(X)X']2; X-ray structures of [Co[P(X)X'](CO)3] and P4[P(X)X']2[X = N(SiMe3)2, X'= NPri2]. Dalton transactions (Cambridge, England : 2003) (issue 4) (2004) 499-501
Space group: P 1 a 1
Cell volume: 2076.63
Cell parameters: 13.8004; 11.0049; 14.7827; 90; 112.336; 90;

COD ID: 7123291
CIF file	Formula: - C76 H52 Cu8 N20 S12 - Comments: Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers Chemical Communications (2019) Space group: P 1 a 1 Cell volume: 4115 Cell parameters: 13.081; 19.687; 17.017; 90; 110.097; 90;

COD ID: 7204924

CIF file

Formula: - C52 H36 B F4 N4 O S18 -
Comments: Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry 10(12) (2000) 2716
Space group: P 1 a 1
Cell volume: 2744.3
Cell parameters: 27.67; 7.601; 13.342; 90; 102.05; 90;

COD ID: 7205933
CIF file	Formula: - C4 H56 B8 Li4 N12 - Comments: Guo, Yanhui; Gu, Qinfen; Guo, Zaiping; Mao, Jianfeng; Liu, Huakun; Dou, Shixue; Yu, Xuebin A GBH/LiBH4 coordination system with favorable dehydrogenation Journal of Materials Chemistry 21(20) (2011) 7138 Space group: P 1 a 1 Cell volume: 1458.15 Cell parameters: 17.2111; 6.750071; 13.23655; 90; 108.518; 90;

COD ID: 7206857

CIF file

Formula: - C24 H18 O4 -
Comments: Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D. The use of the triptycene framework for observing O⋯CO molecular interactions CrystEngComm 13(23) (2011) 6978
Space group: P 1 a 1
Cell volume: 1746.77
Cell parameters: 14.0278; 7.9798; 15.6964; 90; 96.197; 90;

COD ID: 9004451
CIF file	Formula: - B5 Ca3 Cl2 H23 O21 - Comments: Grice, J. D.; Gault, R. A.; Van Velthuizen, J. Brianroulstonite: A new borate mineral with a sheet structure The Canadian Mineralogist 35 (1997) 751-758 Space group: P 1 a 1 Cell volume: 1039.3 Cell parameters: 17.367; 8.079; 8.693; 90; 121.56; 90;

COD ID: 9008277
CIF file	Formula: - Cu4 H8 O11 S - Comments: Mellini, M.; Merlino, S. Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure Zeitschrift fur Kristallographie 149 (1979) 249-257 Space group: P 1 a 1 Cell volume: 466.057 Cell parameters: 10.578; 6.345; 7.863; 90; 117.98; 90;

COD ID: 9009612
CIF file	Formula: - Ca7 F Nb O17 Si4 - Comments: Mellini, M. Niocalite revised: Twinning and crystal structure Note: cuspidine structure Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 249-266 Space group: P 1 a 1 Cell volume: 784.246 Cell parameters: 10.863; 10.431; 7.37; 90; 110.1; 90;

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