Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000043 | CIF | Ca F2 | F m -3 m | 5.462; 5.462; 5.462 90; 90; 90 | 163 | Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C, 1971, 4, 3107-3121 |
| 1000284 | CIF | Ba2 Cu O8 Pt Y2 | P n m a | 13.207; 5.68; 10.321 90; 90; 90 | 774.2 | Laligant, Y; Ferey, G; Hervieu, M; Raveau, B Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~ Europhysics Letters, 1987, 4, 1023-1029 |
| 1001053 | CIF | Cr O6 Ta2 | P 1 21/c 1 | 4.74; 4.75; 9.305 90; 90.95; 90 | 209.5 | Massard, P; Bernier, J C; Michel, A Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~ Journal of Solid State Chemistry, 1972, 4, 269-274 |
| 1001074 | CIF | Ge3 K O9 Ta | P -6 c 2 | 6.972; 6.972; 10.144 90; 90; 120 | 427 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1001075 | CIF | Ge3 O9 Rb Ta | P -6 c 2 | 7.041; 7.041; 10.116 90; 90; 120 | 434.3 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux qermanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1001076 | CIF | Ge3 Nb O9 Rb | P -6 c 2 | 7.038; 7.038; 10.132 90; 90; 120 | 434.6 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1001077 | CIF | Ge3 O9 Ta Tl | P -6 c 2 | 7.036; 7.036; 10.124 90; 90; 120 | 434 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1001078 | CIF | Ba Ge3 O9 Sn | P -6 c 2 | 6.894; 6.894; 10.233 90; 90; 120 | 421.2 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1001597 | CIF | C Cu2 O10 Pb0.5 Sr4 Tl0.5 | P 4/m m m | 3.8244; 3.8244; 16.51599 90; 90; 90 | 241.6 | Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~ Microscopy, Microanalysis, Microstructures, 1993, 4, 41-50 |
| 1001669 | CIF | Hg O14 P4 V2 | P -1 | 4.848; 6.892; 8.077 92.65; 93.26; 106.23 | 258.2 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
| 1001670 | CIF | O14 P4 Pb V2 | P -1 | 4.804; 7.113; 7.898 89.78; 92.62; 106.1 | 259 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
| 1001671 | CIF | Cu Nd2 O3.5 | I m m m | 4.237; 3.7675; 11.917 90; 90; 90 | 190.2 | Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry, 1994, 4, 895-898 |
| 1001773 | CIF | Ba O9 Si3 Sn | P -6 c 2 | 6.728; 6.728; 9.838 90; 90; 120 | 385.7 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
| 1004031 | CIF | C5 H18 N2 O9 P2 Zn | C 1 2/c 1 | 13.917; 9.091; 20.489 90; 102.36; 90 | 2532.2 | Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]88H2O Solid State Sciences, 2002, 4, 135-141 |
| 1004109 | CIF | Ni3 O9 Sr4 | P 3 2 1 | 9.477; 9.477; 7.825 90; 90; 120 | 608.6 | Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry, 1994, 4, 1763-1764 |
| 1005011 | CIF | Li Mo N2 | R 3 :H | 2.8674; 2.8674; 15.801 90; 90; 120 | 112.5 | Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M LiMoN~2~: the first metallic layered nitride Chemistry of Materials (1,1989-, 1992, 4, 928-937 |
| 1008282 | CIF | Mg2 O4 Pt | F d -3 m :1 | 8.521; 8.521; 8.521 90; 90; 90 | 618.7 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
| 1008283 | CIF | O4 Pt Zn2 | F d -3 m :1 | 8.549; 8.549; 8.549 90; 90; 90 | 624.8 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
| 1008499 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.203; 10.203; 6.611 90; 90; 90 | 688.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008500 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.249; 10.249; 6.649 90; 90; 90 | 698.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008501 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.191; 10.191; 6.609 90; 90; 90 | 686.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008502 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.19; 10.19; 6.592 90; 90; 90 | 684.5 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008503 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.262; 10.262; 6.656 90; 90; 90 | 700.9 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008504 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.174; 10.174; 6.581 90; 90; 90 | 681.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
| 1008978 | CIF | As Cr Ni | P -6 2 m | 6.102; 6.102; 3.654 90; 90; 120 | 117.8 | Nylund, M A; Roger, A; Senateur, J P; Fruchart, R Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx) Journal of Solid State Chemistry, 1972, 4, 115-122 |
| 1008979 | CIF | As Cr Pd | P -6 2 m | 6.51; 6.51; 3.685 90; 90; 120 | 135.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
| 1008980 | CIF | As Cr Rh | P -6 2 m | 6.384; 6.384; 3.718 90; 90; 120 | 131.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
| 1008987 | CIF | As Mn Ru | P -6 2 m | 6.5155; 6.5155; 3.614 90; 90; 120 | 132.9 | Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
| 1009058 | CIF | B2 Mo | P 6/m m m | 3.05; 3.05; 3.113 90; 90; 120 | 25.1 | Bertaut, E. F.; Blum, P. Existence et structure d'une nouvelle phase dans le systeme Mo-B Acta Crystallographica, 1951, 4, 72-72 |
| 1010041 | CIF | Pt Sb | P 63/m m c | 4.13; 4.13; 5.472 90; 90; 120 | 80.8 | Thomassen, L Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
| 1010324 | CIF | Ag3 O4 P | P -4 3 n | 5.995; 5.995; 5.995 90; 90; 90 | 215.5 | Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics, 1936, 4, 316-322 |
| 1010439 | CIF | H2 O | 4.74; 4.74; 6.65 90; 90; 120 | 129.4 | John, A S The Crystal Structure of Ice Proceedings of the National Academy of Sciences, U.S.A., 1918, 4, 193-197 | |
| 1010519 | CIF | Po | C 1 2 1 | 7.42; 4.29; 14.1 90; 92; 90 | 448.6 | Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics, 1936, 4, 648-652 |
| 1010520 | CIF | Ge S2 | F d d 2 | 11.66; 22.34; 6.86 90; 90; 90 | 1786.9 | Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics, 1936, 4, 618-619 |
| 1010788 | CIF | Cl2 Mn | 2.34; 2.34; 2.34 91.5; 91.5; 91.5 | 12.8 | Bruni, G; Ferrari, A Sulla struttura cristallina di alcuni cloruri bivalenti Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945), 1926, 4, 10-13 | |
| 1010798 | CIF | C4 H8 Ba N4 O4 Pd | C 1 2/c 1 | 11.95; 13.82; 6.71 90; 103.63; 90 | 1076.9 | de Rassenfosse, A; Pierard, J Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 74-79 |
| 1010800 | CIF | Ca H10 N4 O5 Pt | 17.08; 18.98; 6.64 90; 90; 90 | 2152.5 | Brasseur, H; de Rassenfosse, A Etude cristallopraphique du platinocyanure de calcium hydrate. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 24-33 | |
| 1010845 | CIF | K2 O4 | I 4/m m m | 5.7; 5.7; 6.72 90; 90; 90 | 218.3 | Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics, 1936, 4, 458-458 |
| 1010848 | CIF | O6 S3 Tl2 | C 1 2/c 1 | 13.2; 7.45; 7.58 90; 91; 90 | 745.3 | Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics, 1936, 4, 621-621 |
| 1010918 | CIF | Ca H O4.5 S | P 32 2 1 S | 6.86; 6.86; 12.7 90; 90; 120 | 517.6 | Gallitelli, P Ricerche sul solfato di calcio semidrato e sull'anidrite solubile Periodico di Mineralogia, 1933, 4, 132-171 |
| 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 |
| 1505173 | CIF | C32 H24 N8 O12 | P -1 | 9.7657; 11.7691; 14.0803 86.227; 74.163; 86.202 | 1551.53 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
| 1505174 | CIF | C13 H16 N4 O4 | P 1 21/m 1 | 8.7478; 6.5361; 12.5842 90; 107.296; 90 | 686.98 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505175 | CIF | C14 H15 N4 O5 | P 1 21/n 1 | 6.9183; 25.9086; 7.9749 90; 104.754; 90 | 1382.32 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505176 | CIF | C18 H16 N4 O5 | P 1 21/c 1 | 11.814; 31.707; 8.92 90; 98.072; 90 | 3308.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505177 | CIF | C14 H14 N4 O5 | P 1 21/c 1 | 7.1201; 7.928; 24.763 90; 91.66; 90 | 1397.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505178 | CIF | C15 H17 N5 O4 | P 1 21/n 1 | 8.7337; 15.3838; 11.5271 90; 99.256; 90 | 1528.59 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505179 | CIF | C8 H12 N5 O2 | P 1 21/c 1 | 8.7804; 6.5989; 16.0041 90; 102.292; 90 | 906.04 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505180 | CIF | C16 H26 N10 O5 | P -1 | 8.3936; 10.2277; 11.8295 78.839; 77.795; 81.075 | 966.87 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505181 | CIF | C17 H13 F3 N2 O6 | P 1 21/c 1 | 8.1434; 20.7559; 10.6511 90; 110.276; 90 | 1688.73 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
| 1505182 | CIF | C19 H18 N4 O5 | P 1 21/n 1 | 7.6063; 14.042; 16.327 90; 94.03; 90 | 1739.5 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
| 1505183 | CIF | C19 H18 N4 O5 | P 1 21/c 1 | 9.04; 24.42; 8.654 90; 117.015; 90 | 1702 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
| 1505184 | CIF | C19 H18 N4 O5 | P -1 | 8.029; 8.592; 13.996 106.475; 98.162; 104.904 | 870.3 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
| 1505185 | CIF | C13 H18 N4 O10 | P 1 21/c 1 | 17.9217; 6.1766; 15.3751 90; 105.212; 90 | 1642.32 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
| 1505186 | CIF | C14 H18 N4 O9 | P -1 | 7.3874; 8.3967; 13.5053 91.333; 99.04; 99.588 | 814.72 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
| 1505187 | CIF | C2 H5 O5.5 | P n m a | 11.231; 12.33; 6.9082 90; 90; 90 | 956.6 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
| 1505188 | CIF | C4 H9 O11 | P -1 | 6.337; 7.247; 10.571 94.345; 100.244; 97.674 | 471 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
| 1505189 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 13.223; 6.1971; 14.63 90; 113.661; 90 | 1098.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505190 | CIF | C19 H15 N3 O | C 1 2/c 1 | 18.715; 7.228; 23.208 90; 90.478; 90 | 3139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505191 | CIF | C26 H20 N4 O2 | P 1 21/n 1 | 16.5421; 7.5056; 18.709 90; 106.763; 90 | 2224.2 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505192 | CIF | C24 H18 N4 O2 | P 1 21/c 1 | 20.866; 7.437; 6.7662 90; 98.142; 90 | 1039.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505193 | CIF | C18 H14 N2 O | P 1 21/c 1 | 9.906; 21.65; 7.59 90; 112.14; 90 | 1508 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505194 | CIF | C24 H18 N4 O2 | P 1 21/n 1 | 12.7871; 7.2838; 44.445 90; 90.895; 90 | 4139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505195 | CIF | C18 H14 N2 O | C 1 2/c 1 | 26.217; 7.481; 19.41 90; 128.31; 90 | 2987 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505196 | CIF | C24 H18 N4 O2 | P -1 | 3.8483; 8.755; 14.364 96.647; 94.498; 95.474 | 476.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505197 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 11.195; 7.335; 13.53 90; 99.465; 90 | 1095.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505198 | CIF | C19 H15 N3 O | C 1 c 1 | 18.503; 7.5019; 21.971 90; 92.181; 90 | 3047.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505199 | CIF | C19 H15 N3 O | P -1 | 7.616; 10.003; 22.497 87.342; 81.024; 69.737 | 1588.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505200 | CIF | C26 H20 N4 O2 | P 1 21/c 1 | 14.66; 4.11; 18.29 90; 90.74; 90 | 1101.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505201 | CIF | C24 H18 N4 O2 | C 1 2/c 1 | 39.87; 7.586; 6.915 90; 91.972; 90 | 2090 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505202 | CIF | C24 H18 N6 O3 | P -1 | 7.889; 8.156; 19.673 83.866; 85.627; 63.512 | 1125.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505203 | CIF | C18 H14 N4 O2 | P -1 | 9.171; 9.941; 10.265 95.674; 94.987; 114.784 | 836.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505204 | CIF | C30 H24 F4 N4 O4 S | P -1 | 8.274; 10.172; 18.601 87.521; 78.256; 71.067 | 1449.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
| 1505205 | CIF | C12 H10 N4 O5 | P 1 21/n 1 | 10.385; 7.2222; 16.3763 90; 93.686; 90 | 1225.72 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505206 | CIF | C16 H18 N4 O5 | P -1 | 8.4083; 9.8893; 10.6761 73.201; 79.022; 74.182 | 811.64 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505207 | CIF | C6 H6 N3 O4 | P 1 21/n 1 | 5.258; 6.478; 22.118 90; 95.795; 90 | 749.5 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505208 | CIF | C24 H18 N4 O8 S2 | P 1 21/n 1 | 6.5207; 14.0377; 13.1232 90; 104.28; 90 | 1164.12 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505209 | CIF | C13 H17 N3 O4 | P 1 21/c 1 | 7.2276; 19.5811; 9.9928 90; 98.136; 90 | 1399.99 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505210 | CIF | C20 H26 N4 O5 | P 1 21/c 1 | 8.2106; 23.9166; 20.6318 90; 96.67; 90 | 4024 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505211 | CIF | C24 H22 N4 O6 | P -1 | 5.692; 9.482; 10.751 69.893; 84.232; 84.969 | 541.2 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
| 1505212 | CIF | C9 H11 N2 O4 | P -1 | 6.409; 7.372; 11.064 96.127; 97.22; 105.35 | 494.7 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
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