Crystallography Open Database

Result : There are 23 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching space group like 'A 1 2/n 1'

COD ID: 1519010
CIF file Formula: - C38 H40 Cu2 N4 O4 -
Comments: Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H. Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols Solid State Sciences 1 (1999) 119-131
Space group: A 1 2/n 1
Cell volume: 3574.9
Cell parameters: 18.888; 10.3781; 19.93; 90; 113.786; 90;  

COD ID: 1556836
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7324
Cell parameters: 23.7844; 13.732; 23.784; 90; 109.47; 90;  

COD ID: 1556838
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7369
Cell parameters: 23.834; 13.76; 23.833; 90; 109.47; 90;  

COD ID: 1556840
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7369
Cell parameters: 23.834; 13.76; 23.833; 90; 109.47; 90;  

COD ID: 1556842
CIF file Formula: - C0.58 Na0.02 O4.53 Si2.27 -
Comments: Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ 5(Pt 5) (2018) 595-607
Space group: A 1 2/n 1
Cell volume: 7251
Cell parameters: 23.7054; 13.6861; 23.7051; 90; 109.47; 90;  

COD ID: 2004381
CIF file

Original IUCr paper

Formula: - C20 H15 F3 Mo N2 O4 -
Comments: Eriksson, L.; Sjögren, M. P. T.; Åkermark, B. (η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II) Acta Crystallographica Section C 52(1) (1996) 77-80
Space group: A 1 2/n 1
Cell volume: 3864
Cell parameters: 20.191; 7.009; 28.944; 90; 109.4; 90;  

COD ID: 2106069
CIF file Formula: - C3 H3 N3 O3 -
Comments: Verschoor, G.C.; Keulen, E. Electron density distribution in cyanuric acid. I. An x-ray diffraction study at low temperature Acta Crystallographica B (24,1968-38,1982) 27 (1971) 134-145
Space group: A 1 2/n 1
Cell volume: 471.459
Cell parameters: 7.749; 6.736; 11.912; 90; 130.69; 90;  

COD ID: 4320248
CIF file Formula: - C22 H61 Fe N12 O11.5 Zn1.5 -
Comments: Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties Inorganic Chemistry 40 (2001) 4876-4883
Space group: A 1 2/n 1
Cell volume: 7914.9
Cell parameters: 14.5474; 37.056; 14.7173; 90; 93.938; 90;  

COD ID: 4320249
CIF file Formula: - C60 H116 Fe2 N24 Ni3 O13 -
Comments: Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties Inorganic Chemistry 40 (2001) 4876-4883
Space group: A 1 2/n 1
Cell volume: 8912
Cell parameters: 20.462; 16.292; 27.262; 90; 101.29; 90;  

COD ID: 4350305
CIF file Formula: - C24 H30 N5 O5 Re S -
Comments: Chiotellis, Aris; Tsoukalas, Charalambos; Pelecanou, Maria; Papadopoulos, Apostolos; Raptopoulou, Catherine; Terzis, Aris; Pirmettis, Ioannis; Papadopoulos, Minas; Chiotellis, Efstratios Synthesis and characterization of novel "3 + 2" oxorhenium complexes, ReO[SNO][NN]. Inorganic chemistry 45(14) (2006) 5635-5640
Space group: A 1 2/n 1
Cell volume: 5100
Cell parameters: 14.269; 10.548; 33.9; 90; 91.87; 90;  

COD ID: 7009230
CIF file Formula: - C31 H38.5 F12 N7.5 P2 Ru -
Comments: Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Marie-Noëlle Collomb-Dunand-Sauthier; Alain Deronzier; Teodor Parella; Helen Stoeckli-Evans Synthesis, structure and redox properties of a new ruthenium(II) complex containing the flexible tridentate ligand N,N-bis(2-pyridylmethyl)ethylamine, cis-fac-Ru(bpea)22+, and its homologue attached covalently to a polypyrrole film J. Chem. Soc., Dalton Trans. (issue 11) (2000) 1689-1694
Space group: A 1 2/n 1
Cell volume: 7469.2
Cell parameters: 15.4749; 11.6232; 41.92; 90; 97.861; 90;  

COD ID: 7110531
CIF file Formula: - C42 H117 Fe2 N24 Ni3 O22.5 -
Comments: Colacio, Enrique; Domínguez-Vera, José M.; Ghazi, Mustapha; Moreno, José M.; Kivekäs, Raikko; Lloret, Francesc; Stoeckli-Evans, Helen A novel two-dimensional honeycomb-like bimetallic iron(III)‒nickel(II) cyanide-bridged magnetic material [Ni(cyclam)]3[Fe(CN)6]2·nH2O(cyclam = 1,4,8,11-tetraazacyclodecane) Chemical Communications (issue 11) (1999) 987
Space group: A 1 2/n 1
Cell volume: 7757.8
Cell parameters: 17.9384; 16.7894; 25.764; 90; 91.176; 90;  

COD ID: 9000511
CIF file Formula: - Ca O5 Si Ti -
Comments: Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 270 deg C American Mineralogist 61 (1976) 435-447
Space group: A 1 2/n 1
Cell volume: 370.798
Cell parameters: 7.06; 8.737; 6.565; 90; 113.7; 90;  

COD ID: 9000512
CIF file Formula: - Ca O5 Si Ti -
Comments: Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 515 deg C American Mineralogist 61 (1976) 435-447
Space group: A 1 2/n 1
Cell volume: 373.08
Cell parameters: 7.077; 8.743; 6.584; 90; 113.68; 90;  

COD ID: 9000513
CIF file Formula: - Ca O5 Si Ti -
Comments: Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 740 deg C American Mineralogist 61 (1976) 435-447
Space group: A 1 2/n 1
Cell volume: 374.876
Cell parameters: 7.083; 8.753; 6.596; 90; 113.55; 90;  

COD ID: 9000575
CIF file Formula: - Ca O5 Si Sn0.95 Ti0.05 -
Comments: Higgins, J. B.; Ribbe, P. H. The structure of malayaite, CaSnOSiO4, a tin analog of titanite Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England American Mineralogist 62 (1977) 801-806
Space group: A 1 2/n 1
Cell volume: 389.863
Cell parameters: 7.149; 8.906; 6.667; 90; 113.3; 90;  

COD ID: 9001874
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J. Transformation of fivefold-coordinated silicon to octahedral silicon in calcium silicate, CaSi2O5 American Mineralogist 82 (1997) 836-839
Space group: A 1 2/n 1
Cell volume: 320.104
Cell parameters: 6.543; 8.3918; 6.3416; 90; 113.175; 90;  

COD ID: 9002039
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L. Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 1 atm American Mineralogist 84 (1999) 282-287
Space group: A 1 2/n 1
Cell volume: 320.104
Cell parameters: 6.543; 8.3918; 6.3416; 90; 113.175; 90;  

COD ID: 9002040
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L. Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 1.0 GPa American Mineralogist 84 (1999) 282-287
Space group: A 1 2/n 1
Cell volume: 318.35
Cell parameters: 6.5297; 8.3823; 6.3227; 90; 113.087; 90;  

COD ID: 9002041
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L. Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 2.6 GPa American Mineralogist 84 (1999) 282-287
Space group: A 1 2/n 1
Cell volume: 315.592
Cell parameters: 6.5096; 8.3636; 6.2954; 90; 112.96; 90;  

COD ID: 9002042
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L. Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 4.4 GPa American Mineralogist 84 (1999) 282-287
Space group: A 1 2/n 1
Cell volume: 312.534
Cell parameters: 6.485; 8.3431; 6.2653; 90; 112.784; 90;  

COD ID: 9002043
CIF file Formula: - Ca O5 Si2 -
Comments: Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L. Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 5.8 GPa American Mineralogist 84 (1999) 282-287
Space group: A 1 2/n 1
Cell volume: 310.473
Cell parameters: 6.4699; 8.3294; 6.2444; 90; 112.688; 90;  

COD ID: 9004238
CIF file Formula: - H4 Li Na O7 Si2 -
Comments: Grice, J. D. The crystal structure of silinaite, NaLiSi2O6.2H20: a monophyllosilicate The Canadian Mineralogist 29 (1991) 363-367
Space group: A 1 2/n 1
Cell volume: 602.631
Cell parameters: 5.061; 8.334; 14.383; 90; 96.6; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!