Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1011024 | CIF | H2 O | I b a m (a,b,c+1/4) | 10.2; 5.87; 7.17 90; 90; 90 | 429.3 | McFarlan, R L The Structure of Ice III Journal of Chemical Physics, 1936, 4, 253-259 |
1011063 | CIF | H2 O | C 2 2 21 | 7.8; 4.5; 5.56 90; 90; 90 | 195.2 | McFarlan, Ronald L. The Structure of Ice II The Journal of Chemical Physics, 1936, 4, 60-64 |
1011101 | CIF | N Ti | F m -3 m | 4.32; 4.32; 4.32 90; 90; 90 | 80.6 | van Arkel, A E An X-ray examination of titanium nitride. I Physica (Amsterdam) (1,1921-13,1933), 1924, 4, 286-301 |
1011115 | CIF | C2 H10 N2 O5 | P 21 21 2 | 8.04; 10.27; 3.82 90; 90; 90 | 315.4 | Hendriks, S B; Jefferson, M E Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group Journal of Chemical Physics, 1936, 4, 102-107 |
1011161 | CIF | Ag3 As S3 | R 3 c :H | 10.74; 10.74; 8.64 90; 90; 120 | 863.1 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011162 | CIF | Ag3 S3 Sb | R 3 c :H | 11.04; 11.04; 8.71 90; 90; 120 | 919.4 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011348 | CIF | As2 Pd | P a -3 | 5.982; 5.982; 5.982 90; 90; 90 | 214.1 | Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
1100115 | CIF | C8 H22 Al F5 N2 | P 1 21 1 | 7.887; 5.502; 15.812 90; 112.03; 90 | 636.053 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100116 | CIF | C10 H26 Al F5 N2 | P 1 21 1 | 7.881; 5.489; 18.36 90; 112.21; 90 | 735.303 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100117 | CIF | C12 H30 Al F5 N2 | P 1 21 1 | 7.8713; 5.4739; 20.898 90; 112.422; 90 | 832.354 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100120 | CIF | C2 Ba2 Co F2 O6 | P b c a | 6.6226; 11.494; 9.021 90; 90; 90 | 686.68 | Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences, 2002, 4, 503-506 |
1100121 | CIF | C Ba F2 Mn O3 | P 63/m | 4.912; 4.912; 9.919 90; 90; 120 | 207.26 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100122 | CIF | C Ba F2 O3 Zn | P 63/m | 4.8523; 4.8523; 9.854 90; 90; 120 | 200.93 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100127 | CIF | C2 F Na2 O6 Yb | C 1 2/c 1 | 17.44; 6.1003; 11.2366 90; 95.64; 90 | 1189.67 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100128 | CIF | C2 F2 Na3 O6 Yb | C 1 c 1 | 7.127; 29.816; 6.928 90; 112.56; 90 | 1359.54 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100644 | CIF | C30 H40 Cl2 N2 O6 Zn2 | P -1 | 8.6024; 10.1643; 10.2254 86.61; 79.601; 69.707 | 824.81 | Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal, 1998, 4, 814-817 |
1101061 | CIF | C36 H32 Ag2 N26 O14 Pt2 | C 1 2/c 1 | 25.778; 13.521; 13.315 90; 98.06; 90 | 4595 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications, 2001, 4, 254-256 |
1505170 | CIF | C40 H38 N8 O4 | P 1 21/n 1 | 5.6367; 32.91; 9.4476 90; 102.342; 90 | 1712.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505171 | CIF | C15 H11 F2 N3 O2 | P 1 21/n 1 | 7.1555; 17.958; 10.9686 90; 101.301; 90 | 1382.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505172 | CIF | C32 H39 N3 O4 | P -1 | 8.8864; 11.9875; 13.7015 99.38; 93.191; 107.556 | 1364.42 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
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