Crystallography Open Database

Search results

Result : There are 31 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 journal of publication like 'Journal of Structural Chemistry'

COD ID: 1519107
CIF file	Formula: - H50 Na6 O66 Sr2 W12 - Comments: Sergii V. Radio; Nadija I. Gumerova; Vyacheslav N. Baumer Crystal Structure of Sodium-Strontium Paratungstate B, Na6Sr2[W12O40(OH)2].24H2O. Journal of Structural Chemistry 54 (2013) 97-103 Space group: P 1 21/n 1 Cell volume: 2862.28 Cell parameters: 12.5435; 12.1544; 18.808; 90; 93.44; 90;

COD ID: 1519109

CIF file

Formula: - H38 Na4 Ni O40 W6 -
Comments: G. M. Rozantsev; S. V. Radio; N. I. Gumerova; V. N. Baumev; O. B. Shishkin Phase formation in the Ni2±WO42‒H±H2O system (Z = 1.00). Crystal structure and properties of sodium heteropolyhexatungsten nickelate(2+) Na4[Ni(OH)6W8O18].16H2O Journal of Structural Chemistry 50 (2009) 296-305
Space group: P -1
Cell volume: 914
Cell parameters: 8.0089; 10.5758; 12.1987; 69.268; 71.069; 83.816;

COD ID: 1529217
CIF file HKL data	Formula: - C19 H26 Br3.46 Cl2.54 F N3 O4 Sn - Comments: N.N. Golovnev; M.S. Molokeev; I.I. Golovneva; G.A. Gluschenko Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate Journal of Structural Chemistry 54(2) (2013) 377 Space group: P 1 21/c 1 Cell volume: 2668.6 Cell parameters: 17.1262; 10.3435; 17.2582; 90; 119.203; 90;

COD ID: 1529218
CIF file HKL data	Formula: - C8 H6 Ba N4 O6 S2 - Comments: Golovnev, Nikolay; Molokeev, Maxim Crystal structures of two barium 2-thiobarbiturate complexes Journal of Structural Chemistry 55(5) (2014) 871 Space group: P n m a Cell volume: 1357.24 Cell parameters: 6.87295; 16.66399; 11.85043; 90; 90; 90;

COD ID: 1529219
CIF file HKL data	Formula: - C8 H16 Ba N4 O9 S2 - Comments: Golovnev, Nicolay; Molokeev, Maxim Crystal structures of two barium 2-thiobarbiturate complexes Journal of Structural Chemistry 55(5) (2014) 871 Space group: P -1 Cell volume: 836.3 Cell parameters: 9.1339; 9.8527; 10.0198; 103.674; 99.491; 101.683;

COD ID: 1529223
CIF file HKL data	Formula: - C4 H3 K N2 O2 S - Comments: N.N. Golovnev; M.S. Molokeev; M.Yu. Belash Crystal structure of potassium 2-thiobarbiturate Journal of Structural Chemistry 54(3) (2013) 566 Space group: P 1 2/c 1 Cell volume: 627.2 Cell parameters: 11.2317; 3.8687; 14.557; 90; 97.448; 90;

COD ID: 1529224
CIF file	Formula: - C8 H6 N4 O5 Pb S2 - Comments: Golovnev, Nikolay; Molokeev, Maxim Crystal structure of catena-DI(2-thiobarbiturato-O,S)aqualead(II) Journal of Structural Chemistry 54(5) (2013) 968 Space group: P -1 Cell volume: 593.82 Cell parameters: 6.59722; 9.8917; 10.08927; 106.702; 93.3951; 107.481;

COD ID: 1529225
CIF file	Formula: - C4 H2 N2 O2 S Tl2 - Comments: Golovnev, Nikolay; Molokeev, Maxim Crystal structure of catena-(2-thiobarbiturato) dithallium(I) Journal of Structural Chemistry 55(1) (2014) 125 Space group: P 1 21/n 1 Cell volume: 741.34 Cell parameters: 15.10391; 12.80183; 3.864549; 90; 97.2028; 90;

COD ID: 1529382
CIF file HKL data	Formula: - C4 H5 N5 O3 - Comments: A.D. Vasiliev; A.M. Astakhov; V.E. Zadov; M.S. Molokeev; O.V. Bindarovich; L.A. Kruglyakova; R.S. Stepanov Crystal and Molecular Structure of 5-Acetylamino-3-nitro-1,2,4-triazole Journal of Structural Chemistry 44(5) (2003) 897-901 Space group: P 1 21/c 1 Cell volume: 1442 Cell parameters: 8.2079; 13.096; 13.65; 90; 100.635; 90;

COD ID: 1529383
CIF file HKL data	Formula: - C2 H6 N6 O3 - Comments: A.M. Astakhov; A.D. Vasilev; M.S. Molokeev; Yu.V. Kekin; L.A. Kruglyakova; R.S. Stepanov Crystal and Molecular Structure of 2-nitro-1-ureidoguanidine Journal of Structural Chemistry 44(2) (2003) 326-329 Space group: P 1 21/n 1 Cell volume: 652.43 Cell parameters: 4.469; 15.566; 9.4131; 90; 94.896; 90;

COD ID: 1529384

CIF file

HKL data

Formula: - C H N8 O2 -
Comments: A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; L.A. Kruglyakova; R.S. Stepanov Crystal and Molecular Structure of Nitramino Derivatives of Tetrazole and 1,2,4-Triazole. II. 5-Nitraminotetrazole Diammonium Salt Journal of Structural Chemistry 45(1) (2004) 175-180
Space group: P 1 2/c 1
Cell volume: 654.33
Cell parameters: 7.272; 8.643; 10.427; 90; 93.2; 90;

COD ID: 1529385

CIF file

HKL data

Formula: - C H3 Li N6 O3 -
Comments: A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov Crystal and molecular structure of the nitramino derivatives of tetrazole and 1,2,4-triazole. III. 5-nitraminotetrazole lithium salt monohydrate Journal of Structural Chemistry 45(2) (2004) 360-364
Space group: P 1 21/c 1
Cell volume: 545.6
Cell parameters: 8.3789; 10.1872; 6.6709; 90; 106.629; 90;

COD ID: 1529386
CIF file HKL data	Formula: - C2 H5 N5 O4 - Comments: A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine Journal of Structural Chemistry 45(3) (2004) 532-536 Space group: P b c a Cell volume: 1317.8 Cell parameters: 11.116; 18.075; 6.559; 90; 90; 90;

COD ID: 1529387

CIF file

HKL data

Formula: - C3 H8 F N4 O2 -
Comments: A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate Journal of Structural Chemistry 45(3) (2004) 537-540
Space group: P 1 21/c 1
Cell volume: 658.3
Cell parameters: 3.551; 21.834; 9.075; 90; 110.68; 90;

COD ID: 1529412
CIF file HKL data	Formula: - C17 H18 Cl4 Cu F N3 O4 - Comments: A.D. Vasilev; N.N. Golovnev; M.S. Molokeev; T.D. Churilov Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride Journal of Structural Chemistry 46(2) (2005) 363-370 Space group: P 1 21/c 1 Cell volume: 2261.5 Cell parameters: 13.491; 11.0459; 16.299; 90; 111.392; 90;

COD ID: 1529413

CIF file

HKL data

Formula: - C2 H2 N7 O2 -
Comments: A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; R.S. Stepanov Crystal and molecular structure of nitraminotetrazoles and nitramino-1,2,4-triazoles. V. 5-nitraminotetrazole methylammonium salt Journal of Structural Chemistry 46(3) (2005) 517-522
Space group: P 1 21/n 1
Cell volume: 1336.1
Cell parameters: 6.541; 19.157; 10.726; 90; 96.24; 90;

COD ID: 1543032
CIF file HKL data	Formula: - C24 H33 Eu N6 O6 S3 - Comments: N.N. Golovnev; M.S. Molokeev; S.N. Vereshchagin Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)} Journal of Structural Chemistry 57(1) (2016) 167-174 Space group: P -1 Cell volume: 1479.88 Cell parameters: 11.0205; 11.8811; 12.7312; 100.933; 109.704; 101.161;

COD ID: 1546382
CIF file	Formula: - C12 H15 N6 O9 S3 Sm - Comments: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III) Journal of Structural Chemistry 58(3) (2017) 539-543 Space group: P 1 2/n 1 Cell volume: 2037.9 Cell parameters: 14.0717; 10.0842; 15.323; 90; 110.408; 90;

COD ID: 1564824

CIF file

Formula: - C16 H36 Gd2 N14 O26 -
Comments: Netreba, E.E.; Somov, N.V. Crystal structure of a new binuclear complex of bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane -3,7-dione-O, O)-diaqua-hexakis(nitrato-O,O)-digadolinium(III) monohydrate Journal of Structural Chemistry 58(4) (2017) 838-842
Space group: P 1 21/c 1
Cell volume: 1870.32
Cell parameters: 10.3861; 10.8047; 21.2707; 90; 128.413; 90;

COD ID: 5000167
CIF file	Formula: - C3 H5 N O - Comments: Isakov, I. V. Crystal structure of acrylamide Journal of Structural Chemistry 7(6) (1967) 836-837 Space group: P 1 21/c 1 Cell volume: 418.15 Cell parameters: 8.408; 5.792; 9.777; 90; 118.57; 90;

COD ID: 6000226
CIF file	Formula: - As Cl Hg3 O4 - Comments: Romanenko, G. V.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasiliev, V. I. Crystal structure of kuznetsovite Hg-3(AsO4)Cl Journal of Structural Chemistry 40 (1999) 270-275 Space group: P 21 3 Cell volume: 588.27 Cell parameters: 8.379; 8.379; 8.379; 90; 90; 90;

COD ID: 9009961
CIF file	Formula: - Al2 Ca F4 H4 O4 - Comments: Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko, Y. A. Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4 Journal of Structural Chemistry 14 (1973) 345-347 Space group: C 1 2/c 1 Cell volume: 548.159 Cell parameters: 6.76; 11.12; 7.32; 90; 95; 90;

COD ID: 9009962
CIF file	Formula: - Al F4 H3 O2 Sr - Comments: Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko Yu, A. Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]2H2O Journal of Structural Chemistry 14 (1973) 445-448 Space group: P 1 21/c 1 Cell volume: 454.031 Cell parameters*: 5.02; 10.62; 8.73; 90; 102.7; 90;

COD ID: 9009963
CIF file	Formula: - Al0.94 N0.94 O6 Si2.06 - Comments: Moroz, N. K.; Seryotkin Yu, V.; Afanasiev, I. S.; Belitzkii, I. A. Arrangement of extraframework cations in NH4-analcime Note: O5 positions taken from ICSD Note: x(Al1) corrected Journal of Structural Chemistry 39 (1998) 281-283 Space group: I 41/a :2 Cell volume: 2395.35 Cell parameters: 13.218; 13.218; 13.71; 90; 90; 90;

COD ID: 9012687
CIF file	Formula: - Na2 O7 Si2 Zr - Comments: Voronkov, A. A.; Shumyatskaya, N. G.; Pyatenko, Y. A. Crystal structure of a new natural modification of Na2Zr[Si2O7] Journal of Structural Chemistry 11 (1970) 866-867 Space group: P -1 Cell volume: 302.756 Cell parameters: 6.66; 8.83; 5.42; 92.75; 94.25; 72.33;

COD ID: 9012688
CIF file	Formula: - As2.79 Cu12.55 S16 V1.11 - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 1 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1166.58 Cell parameters: 10.527; 10.527; 10.527; 90; 90; 90;

COD ID: 9012689
CIF file	Formula: - As2.1 Cu12.67 Ge0.6 S16 Sb0.24 Sn0.06 V0.9 - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 2 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1191.02 Cell parameters: 10.6; 10.6; 10.6; 90; 90; 90;

COD ID: 9012690
CIF file	Formula: - As1.8 Cu12.92 S16 Sb0.3 Sn0.9 V - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 3 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1208.97 Cell parameters: 10.653; 10.653; 10.653; 90; 90; 90;

COD ID: 9013991
CIF file	Formula: - Ca2 F O12 P3 Sr3 - Comments: Klevtsova, R. F. The crystal structure of strontium-apatite Journal of Structural Chemistry 5 (1964) 318-320 Space group: P 63 Cell volume: 579.856 Cell parameters: 9.63; 9.63; 7.22; 90; 90; 120;

COD ID: 9014305

CIF file

Formula: - Ag As0.929 Hg S3 Sb0.071 -
Comments: Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasil'ev, V. I.; Kuratieva, N. V. Redetermination and crystallographic analysis of the structure of Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan) Journal of Structural Chemistry 51 (2010) 683-688
Space group: A 1 a 1
Cell volume: 529.992
Cell parameters: 7.756; 11.334; 6.665; 90; 115.233; 90;

COD ID: 9015721
CIF file	Formula: - Cu3 H6 O11 V2 - Comments: Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D. Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)2H2O Journal of Structural Chemistry 49 (2008) 708-711 Space group: I 1 a 1 Cell volume: 897.728 Cell parameters*: 10.646; 5.867; 14.432; 90; 95.19; 90;

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