Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 49
| COD ID: 1001543 | |
| CIF file | Formula: - La0.988 Mo8.024 O14 - Comments: Leligny, H.; Labbe, P.; Ledesert, M.; Hervieu, M.; Raveau, B.; McCarroll, W. H. The modulated structure of LaMo~8~O~14~ Acta Crystallographica B (39,1983-) 49(3) (1993) 444-454 Space group: C 2 c b Cell volume: 1025.9 Cell parameters: 11.129; 10; 9.218; 90; 90; 90; |
| COD ID: 1001768 | |
| CIF file | Formula: - Ca H2 O2 - Comments: Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817 Space group: P -3 m 1 Cell volume: 54.8 Cell parameters: 3.589; 3.589; 4.911; 90; 90; 120; |
| COD ID: 1001769 | |
| CIF file | Formula: - Ca H2 O2 - Comments: Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817 Space group: P -3 m 1 Cell volume: 54.8 Cell parameters: 3.589; 3.589; 4.911; 90; 90; 120; |
| COD ID: 1001787 | |
| CIF file | Formula: - Ca H2 O2 - Comments: Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817 Space group: P -3 m 1 Cell volume: 54.8 Cell parameters: 3.589; 3.589; 4.911; 90; 90; 120; |
| COD ID: 1001788 | |
| CIF file | Formula: - Ca H2 O2 - Comments: Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 Acta Crystallographica B (39,1983-) 49 (1993) 812-817 Space group: P -3 m 1 Cell volume: 54.8 Cell parameters: 3.589; 3.589; 4.911; 90; 90; 120; |
| COD ID: 2100874 | |
| CIF file | Formula: - C15 H15 N O3 - Comments: Maurin, J. K.; Winnicka-Maurin, M.; Paul, I. C.; Curtin, D. Y. Hydrogen-bonded complex formation of oximes with carboxylic acids and with amides. (<i>E</i>)-Acetophenone oxime‒benzoic acid (1/1) and (<i>E</i>)-benzaldehyde oxime‒benzamide (1/1) Acta Crystallographica Section B 49(1) (1993) 90-96 Space group: P 1 21/c 1 Cell volume: 1283.3 Cell parameters: 13.666; 5.413; 18.298; 90; 108.55; 90; |
| COD ID: 2100875 | |
| CIF file | Formula: - C14 H14 N2 O2 - Comments: Maurin, J. K.; Winnicka-Maurin, M.; Paul, I. C.; Curtin, D. Y. Hydrogen-bonded complex formation of oximes with carboxylic acids and with amides. (<i>E</i>)-Acetophenone oxime–benzoic acid (1/1) and (<i>E</i>)-benzaldehyde oxime–benzamide (1/1) Acta Crystallographica Section B 49(1) (1993) 90-96 Space group: P 1 21/n 1 Cell volume: 1249 Cell parameters: 5.283; 10.478; 22.893; 90; 99.73; 90; |
| COD ID: 2100876 | |
| CIF file | Formula: - Ba Cu O5 Y2 - Comments: Buttner, R. H.; Maslen, E. N. Structural parameters and electron difference density in Y~2~BaCuO~5~ Acta Crystallographica Section B 49(1) (1993) 62-66 Space group: P n m a Cell volume: 492.2 Cell parameters: 12.188; 5.662; 7.132; 90; 90; 90; |
| COD ID: 2100877 | |
| CIF file | Formula: - C53 H64 N8 O22 - Comments: Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L. Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics Acta Crystallographica Section B 49(1) (1993) 136-144 Space group: P 21 21 21 Cell volume: 5751.6 Cell parameters: 61.896; 11.424; 8.134; 90; 90; 90; |
| COD ID: 2100878 | |
| CIF file | Formula: - C33 H44 N4 O10 - Comments: Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L. Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics Acta Crystallographica Section B 49(1) (1993) 136-144 Space group: P 1 Cell volume: 3467.3 Cell parameters: 19.409; 15.332; 11.784; 95.51; 92.17; 83.59; |
| COD ID: 2100879 | |
| CIF file | Formula: - C15 H22 N2 O4 - Comments: Krause, J. A.; Baures, P. W.; Eggleston, D. S. Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu Acta Crystallographica Section B 49(1) (1993) 123-130 Space group: P 21 21 21 Cell volume: 1539.1 Cell parameters: 5.644; 12.094; 22.548; 90; 90; 90; |
| COD ID: 2100880 | |
| CIF file | Formula: - C14 H22 N2 O6 S2 - Comments: Krause, J. A.; Baures, P. W.; Eggleston, D. S. Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu Acta Crystallographica Section B 49(1) (1993) 123-130 Space group: P b c a Cell volume: 3641 Cell parameters: 33.642; 15.951; 6.785; 90; 90; 90; |
| COD ID: 2100881 | |
| CIF file | Formula: - C12 H20 N4 O3 - Comments: Krause, J. A.; Baures, P. W.; Eggleston, D. S. Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu Acta Crystallographica Section B 49(1) (1993) 123-130 Space group: P 1 21 1 Cell volume: 722.61 Cell parameters: 6.559; 5.451; 20.463; 90; 99; 90; |
| COD ID: 2100882 | |
| CIF file | Formula: - C4 H12 Cu N2 O6 - Comments: Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C. Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II) Acta Crystallographica Section B 49(1) (1993) 73-79 Space group: C 1 2/c 1 Cell volume: 851 Cell parameters: 13.858; 5.499; 15.076; 90; 132.2; 90; |
| COD ID: 2100883 | |
| CIF file | Formula: - C8 H26 Cu N4 O6 - Comments: Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C. Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II) Acta Crystallographica Section B 49(1) (1993) 73-79 Space group: P -1 Cell volume: 391.2 Cell parameters: 5.055; 7.012; 11.768; 80.32; 79.92; 73.77; |
| COD ID: 2100884 | |
| CIF file | Formula: - C14 H16 Cu N2 O6 - Comments: Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C. Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II) Acta Crystallographica Section B 49(1) (1993) 73-79 Space group: C 1 2/c 1 Cell volume: 1523.6 Cell parameters: 22.383; 5.755; 17.629; 90; 137.86; 90; |
| COD ID: 2100885 | |
| CIF file | Formula: - C18 H24 Cu N2 O6 - Comments: Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C. Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II) Acta Crystallographica Section B 49(1) (1993) 73-79 Space group: C 1 2/c 1 Cell volume: 1869.6 Cell parameters: 9.579; 14.22; 13.904; 90; 99.19; 90; |
| COD ID: 2100886 | |
| CIF file | Formula: - C28 H36 O10 - Comments: Ciunik, Z.; Jarosz, S. Structure of precursors of higher-carbon sugars Acta Crystallographica Section B 49(1) (1993) 101-107 Space group: P 1 21 1 Cell volume: 1417 Cell parameters: 14.233; 9.271; 11.804; 90; 114.53; 90; |
| COD ID: 2100887 | |
| CIF file | Formula: - C28 H40 O12 - Comments: Ciunik, Z.; Jarosz, S. Structure of precursors of higher-carbon sugars Acta Crystallographica Section B 49(1) (1993) 101-107 Space group: P 21 21 21 Cell volume: 2959.5 Cell parameters: 8.912; 10.154; 32.704; 90; 90; 90; |
| COD ID: 2100888 | |
| CIF file | Formula: - C22 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(1) (1993) 107-116 Space group: P -1 Cell volume: 885.27 Cell parameters: 8.695; 13.633; 8.273; 98.51; 113.34; 80.97; |
| COD ID: 2100889 | |
| CIF file | Formula: - C22 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(1) (1993) 107-116 Space group: P 1 21/n 1 Cell volume: 1876.2 Cell parameters: 9.124; 14.392; 14.328; 90; 94.3; 90; |
| COD ID: 2100890 | |
| CIF file | Formula: - C22 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(1) (1993) 107-116 Space group: C 1 2/c 1 Cell volume: 3752.1 Cell parameters: 21.994; 11.963; 19.02; 90; 131.43; 90; |
| COD ID: 2100891 | |
| CIF file | Formula: - C20 H23 N5 O - Comments: Arjunan, P.; Arora, S. K.; Chalody, W. Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones Acta Crystallographica Section B 49(1) (1993) 96-101 Space group: P -1 Cell volume: 907.9 Cell parameters: 12.2; 14.89; 5.185; 93.54; 102.21; 80.61; |
| COD ID: 2100892 | |
| CIF file | Formula: - C17 H17 N5 O2 - Comments: Arjunan, P.; Arora, S. K.; Chalody, W. Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones Acta Crystallographica Section B 49(1) (1993) 96-101 Space group: P 1 21/n 1 Cell volume: 1526.9 Cell parameters: 15.823; 5.79; 16.856; 90; 98.59; 90; |
| COD ID: 2100893 | |
| CIF file | Formula: - C14 H12 N2 O4 - Comments: Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H. Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane Acta Crystallographica Section B 49(1) (1993) 116-123 Space group: P 1 21/n 1 Cell volume: 659.2 Cell parameters: 5.597; 8.185; 14.389; 90; 90.51; 90; |
| COD ID: 2100894 | |
| CIF file | Formula: - C14 H12 N2 O4 - Comments: Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H. Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane Acta Crystallographica Section B 49(1) (1993) 116-123 Space group: C 1 2/c 1 Cell volume: 2778 Cell parameters: 18.26; 9.888; 17.66; 90; 119.4; 90; |
| COD ID: 2100895 | |
| CIF file | Formula: - C16 H16 N2 O4 - Comments: Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H. Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane Acta Crystallographica Section B 49(1) (1993) 116-123 Space group: P 1 21/n 1 Cell volume: 1463.1 Cell parameters: 7.763; 18.406; 10.24; 90; 90.1; 90; |
| COD ID: 2100896 | |
| CIF file | Formula: - C16 H16 N2 O4 - Comments: Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H. Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane Acta Crystallographica Section B 49(1) (1993) 116-123 Space group: C 1 2/c 1 Cell volume: 1498.2 Cell parameters: 17.928; 8.713; 12.366; 90; 129.14; 90; |
| COD ID: 2100897 | |
| CIF file | Formula: - H O4 Rb Se - Comments: Makarova, I. P. Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals Acta Crystallographica Section B 49(1) (1993) 11-18 Space group: B 1 1 2 Cell volume: 686.7 Cell parameters: 19.962; 4.634; 7.611; 90; 90; 102.76; |
| COD ID: 2100898 | |
| CIF file | Formula: - H O4 Rb Se - Comments: Makarova, I. P. Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals Acta Crystallographica Section B 49(1) (1993) 11-18 Space group: P 1 Cell volume: 339 Cell parameters: 10.622; 4.622; 7.575; 89.35; 110.84; 102.13; |
| COD ID: 2100899 | |
| CIF file | Formula: - H O4 Rb Se - Comments: Makarova, I. P. Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals Acta Crystallographica Section B 49(1) (1993) 11-18 Space group: B 1 Cell volume: 677.9 Cell parameters: 19.852; 4.622; 7.575; 90.64; 90.04; 102.75; |
| COD ID: 2100900 | |
| CIF file | Formula: - H5 N O4 Se - Comments: Makarova, I. P. Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals Acta Crystallographica Section B 49(1) (1993) 11-18 Space group: B 1 1 2 Cell volume: 680 Cell parameters: 19.863; 4.62; 7.593; 90; 90; 102.59; |
| COD ID: 2100901 | |
| CIF file | Formula: - H5 N O4 Se - Comments: Makarova, I. P. Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals Acta Crystallographica Section B 49(1) (1993) 11-18 Space group: B 1 1 2 Cell volume: 670.6 Cell parameters: 19.754; 4.607; 7.55; 90; 90; 102.59; |
| COD ID: 2100902 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 3 1 c Cell volume: 231.88 Cell parameters: 5.4021; 5.4021; 9.175; 90; 90; 120; |
| COD ID: 2100903 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 3 1 c Cell volume: 233.32 Cell parameters: 5.423; 5.423; 9.161; 90; 90; 120; |
| COD ID: 2100904 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 3 1 c Cell volume: 234.59 Cell parameters: 5.438; 5.438; 9.16; 90; 90; 120; |
| COD ID: 2100905 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 3 1 c Cell volume: 235.65 Cell parameters: 5.453; 5.453; 9.151; 90; 90; 120; |
| COD ID: 2100906 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 63 Cell volume: 236.41 Cell parameters: 5.463; 5.463; 9.147; 90; 90; 120; |
| COD ID: 2100907 | |
| CIF file | Formula: - Cr Li O4 Rb - Comments: Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B 49(1) (1993) 19-28 Space group: P 63 Cell volume: 236.92 Cell parameters: 5.471; 5.471; 9.14; 90; 90; 120; |
| COD ID: 2100908 | |
| CIF file | Formula: - C16 H19 N O3 - Comments: Larsen, S.; de Diego, H. L. A study of two polymorphic modifications of (<i>S</i>)-1-phenylethylammonium (<i>S</i>)-mandelate and the structural features of diastereomeric mandelate salts Acta Crystallographica Section B 49(2) (1993) 303-309 Space group: P 1 21 1 Cell volume: 728.9 Cell parameters: 8.322; 6.801; 12.885; 90; 91.74; 90; |
| COD ID: 2100909 | |
| CIF file | Formula: - C27 H30 N2 O4 - Comments: Larsen, S.; de Diego, H. L.; Kozma, D. Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature Acta Crystallographica Section B 49(2) (1993) 310-316 Space group: P 1 21 1 Cell volume: 1156 Cell parameters: 11.2478; 7.088; 14.684; 90; 99.068; 90; |
| COD ID: 2100910 | |
| CIF file | Formula: - C27 H30 N2 O4 - Comments: Larsen, S.; de Diego, H. L.; Kozma, D. Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature Acta Crystallographica Section B 49(2) (1993) 310-316 Space group: P 21 21 21 Cell volume: 4658.2 Cell parameters: 12.078; 17.423; 22.136; 90; 90; 90; |
| COD ID: 2100911 | |
| CIF file | Formula: - Co D12 O10 S - Comments: Kellersohn, T.; Delaplane, R. G.; Olovsson, I.; McIntyre, G. J. The experimental electron density in monoclinic cobalt sulfate hexahydrate, CoSO~4~.6D~2~O, at 25 K Acta Crystallographica Section B 49(2) (1993) 179-192 Space group: C 1 2/c 1 Cell volume: 1729 Cell parameters: 10.006; 7.252; 24.122; 90; 98.96; 90; |
| COD ID: 2100912 | |
| CIF file | Formula: - C9 H14 N4 O - Comments: Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J. Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues Acta Crystallographica Section B 49(2) (1993) 356-366 Space group: P -1 Cell volume: 483.98 Cell parameters: 6.607; 8.2157; 9.287; 105.52; 93.88; 91.79; |
| COD ID: 2100913 | |
| CIF file | Formula: - C7 H13 Cl N2 O - Comments: Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J. Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues Acta Crystallographica Section B 49(2) (1993) 356-366 Space group: P -1 Cell volume: 456 Cell parameters: 6.843; 6.997; 9.837; 89.72; 87.78; 75.69; |
| COD ID: 2100914 | |
| CIF file | Formula: - C7 H12 N O4 - Comments: Prasad, G. S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of <small>DL</small>-proline hemisuccinic acid and glycyl-<small>L</small>-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid Acta Crystallographica Section B 49(2) (1993) 348-356 Space group: P 1 21/c 1 Cell volume: 816.9 Cell parameters: 5.254; 17.48; 10.23; 90; 119.6; 90; |
| COD ID: 2100915 | |
| CIF file | Formula: - C12 H20 N4 O8 - Comments: Prasad, G. S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of <small>DL</small>-proline hemisuccinic acid and glycyl-<small>L</small>-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid Acta Crystallographica Section B 49(2) (1993) 348-356 Space group: P 1 21 1 Cell volume: 780.2 Cell parameters: 4.864; 17.071; 9.397; 90; 90.58; 90; |
| COD ID: 2100916 | |
| CIF file | Formula: - Fe Li O4 P - Comments: Streltsov, V. A.; Belokoneva, E. L.; Tsirelson, V. G.; Hansen, N. K. Multipole analysis of the electron density in triphylite, LiFePO~4~, using X-ray diffraction data Acta Crystallographica Section B 49(2) (1993) 147-153 Space group: P n m a Cell volume: 291.4 Cell parameters: 10.332; 6.01; 4.692; 90; 90; 90; |
| COD ID: 2100917 | |
| CIF file | Formula: - C15 H29 Co N6 O5 - Comments: Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S. Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond Acta Crystallographica Section B 49(2) (1993) 272-277 Space group: P 21 21 21 Cell volume: 2014 Cell parameters: 12.883; 13.355; 11.706; 90; 90; 90; |
| COD ID: 2100918 | |
| CIF file | Formula: - C15 H29 Co N6 O5 - Comments: Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S. Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond Acta Crystallographica Section B 49(2) (1993) 272-277 Space group: P 21 21 21 Cell volume: 2021.7 Cell parameters: 13.177; 13.12; 11.694; 90; 90; 90; |
| COD ID: 2100919 | |
| CIF file | Formula: - C7 H18 Cl7 Cu3 N - Comments: Weise, S.; Willett, R. D. Crystal structure of [(C~2~H~5~)~3~NCH~3~]Cu~3~Cl~7~: a new structural variant of the CuCl~2~ structure Acta Crystallographica Section B 49(2) (1993) 283-289 Space group: P -1 Cell volume: 894.9 Cell parameters: 7.917; 11.131; 11.664; 65.71; 86.86; 73.28; |
| COD ID: 2100920 | |
| CIF file | Formula: - C17 H17 N O6 - Comments: Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P. Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons Acta Crystallographica Section B 49(2) (1993) 328-334 Space group: P 1 21/c 1 Cell volume: 1543.2 Cell parameters: 5.362; 24.558; 11.793; 90; 96.42; 90; |
| COD ID: 2100921 | |
| CIF file | Formula: - C17 H21 N O8 S - Comments: Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P. Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons Acta Crystallographica Section B 49(2) (1993) 328-334 Space group: P 1 21/c 1 Cell volume: 1828.5 Cell parameters: 14.16; 5.514; 23.792; 90; 100.16; 90; |
| COD ID: 2100922 | |
| CIF file | Formula: - C17 H21 N O8 S - Comments: Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P. Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons Acta Crystallographica Section B 49(2) (1993) 328-334 Space group: P 1 21/n 1 Cell volume: 1867 Cell parameters: 21.501; 5.476; 15.858; 90; 90.68; 90; |
| COD ID: 2100923 | |
| CIF file | Formula: - C16 H14 N2 O4 - Comments: Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P. Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons Acta Crystallographica Section B 49(2) (1993) 328-334 Space group: P -1 Cell volume: 712.4 Cell parameters: 5.654; 8.088; 16.223; 103.78; 90.35; 98.29; |
| COD ID: 2100924 | |
| CIF file | Formula: - C6 H14 N2 O6 - Comments: André, C.; Luger, P.; Fuhrhop, J.-H.; Rosengarten, B. Molecular recognition in polyols: the structure of <small>L</small>-mannonic acid hydrazide revealing a common packing motif in different acyclic sugars Acta Crystallographica Section B 49(2) (1993) 375-382 Space group: P 43 Cell volume: 899.9 Cell parameters: 4.938; 4.938; 36.907; 90; 90; 90; |
| COD ID: 2100925 | |
| CIF file | Formula: - Al2 Be O4 - Comments: Pilati, T.; Demartin, F.; Cariati, F.; Bruni, S.; Gramaccioli, C. M. Atomic thermal parameters and thermodynamic functions for chrysoberyl (BeAl~2~O~4~) from vibrational spectra and transfer of empirical force fields Acta Crystallographica Section B 49(2) (1993) 216-222 Space group: P n m a Cell volume: 227.81 Cell parameters: 9.4019; 5.4746; 4.4259; 90; 90; 90; |
| COD ID: 2100926 | |
| CIF file | Formula: - Cu Mg2 - Comments: Gingl, F.; Selvam, P.; Yvon, K. Structure refinement of Mg~2~Cu and a comparison of the Mg~2~Cu, Mg~2~Ni and Al~2~Cu structure types Acta Crystallographica Section B 49(2) (1993) 201-203 Space group: F d d d {origin @ 2 2 2} Cell volume: 874.4 Cell parameters: 5.275; 9.044; 18.328; 90; 90; 90; |
| COD ID: 2100927 | |
| CIF file | Formula: - C18 H19 N O3 - Comments: Wijayaratne, T.; Collins, N.; Li, Y.; Bruck, M. A.; Polt, R. β-Alkoxy Schiff base‒oxazolidine tautomerism: solid-state structure of <i>N</i>-diphenylmethylene-<small>L</small>-threonine methyl ester Acta Crystallographica Section B 49(2) (1993) 316-320 Space group: P 21 21 21 Cell volume: 1566.7 Cell parameters: 8.455; 12.648; 14.65; 90; 90; 90; |
| COD ID: 2100928 | |
| CIF file | Formula: - C20 H14 N2 O2 - Comments: Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H. Structures of quinone imine metabolites related to the anti-cancer drug amsacrine Acta Crystallographica Section B 49(2) (1993) 342-347 Space group: P 1 21/c 1 Cell volume: 1496.7 Cell parameters: 13.451; 7.007; 17.864; 90; 117.26; 90; |
| COD ID: 2100929 | |
| CIF file | Formula: - C20 H14 N2 O2 - Comments: Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H. Structures of quinone imine metabolites related to the anti-cancer drug amsacrine Acta Crystallographica Section B 49(2) (1993) 342-347 Space group: P -1 Cell volume: 761.6 Cell parameters: 9.365; 13.318; 6.918; 96.45; 105.3; 110.11; |
| COD ID: 2100930 | |
| CIF file | Formula: - C22 H19 N3 O2 - Comments: Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H. Structures of quinone imine metabolites related to the anti-cancer drug amsacrine Acta Crystallographica Section B 49(2) (1993) 342-347 Space group: P -1 Cell volume: 881.4 Cell parameters: 8.091; 10.078; 11.716; 108.39; 99.63; 95.87; |
| COD ID: 2100931 | |
| CIF file | Formula: - C15 H18 N2 O3 - Comments: Kojić-Prodić, B.; Nigović, B.; Puntarec, V.; Tomić, S.; Magnus, V. Structural comparison of biologically active and inactive conjugates of α-amino acids and the plant growth hormone (auxin) indole-3-acetic acid Acta Crystallographica Section B 49(2) (1993) 367-374 Space group: P 1 21 1 Cell volume: 720.1 Cell parameters: 7.185; 10.85; 9.6; 90; 105.8; 90; |
| COD ID: 2100932 | |
| CIF file | Formula: - C14 H16 N2 O3 - Comments: Kojić-Prodić, B.; Nigović, B.; Puntarec, V.; Tomić, S.; Magnus, V. Structural comparison of biologically active and inactive conjugates of α-amino acids and the plant growth hormone (auxin) indole-3-acetic acid Acta Crystallographica Section B 49(2) (1993) 367-374 Space group: P 1 21/c 1 Cell volume: 1324.7 Cell parameters: 11.134; 7.689; 15.548; 90; 95.62; 90; |
| COD ID: 2100933 | |
| CIF file | Formula: - C5 H11 N3 O6 - Comments: Zyss, J.; Pecaut, J.; Levy, J. P.; Masse, R. Synthesis and crystal structure of guanidinium <small>L</small>-monohydrogentartrate: encapsulation of an optically nonlinear octupolar cation Acta Crystallographica Section B 49(2) (1993) 334-342 Space group: P 21 21 21 Cell volume: 844.5 Cell parameters: 11.347; 11.162; 6.668; 90; 90; 90; |
| COD ID: 2100934 | |
| CIF file | Formula: - C10 H12 Cr2 N6 O11 - Comments: Pecaut, J.; Masse, R. Structure of bis(2-amino-5-nitropyridinium) dichromate as a step towards the design of efficient organic‒inorganic non-linear optical crystals Acta Crystallographica Section B 49(2) (1993) 277-282 Space group: P 21 n b Cell volume: 1762.7 Cell parameters: 22.454; 15.129; 5.189; 90; 90; 90; |
| COD ID: 2100935 | |
| CIF file | Formula: - Cl5 N O P2 - Comments: Belaj, F. Structure of <i>N</i>-(dichlorophosphinoyl)phosphorimidic trichloride, Cl~3~PNP(O)Cl~2~, at 100 K Acta Crystallographica Section B 49(2) (1993) 254-258 Space group: P 1 21/c 1 Cell volume: 3393.2 Cell parameters: 12.573; 19.183; 14.985; 90; 110.14; 90; |
| COD ID: 2100936 | |
| CIF file | Formula: - Ca2 Co O7 Si2 - Comments: Hagiya, K.; Ohmasa, M.; Iishi, K. The modulated structure of synthetic Co-åkermanite, Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B 49(2) (1993) 172-179 Space group: P -4 21 m Cell volume: 308.99 Cell parameters: 7.8417; 7.8417; 5.0249; 90; 90; 90; |
| COD ID: 2100937 | |
| CIF file | Formula: - Al10 Mg Na Nd O17 - Comments: Wolf, M.; Thomas, J. O. Ionic distribution in the solid-state laser material Na^+^/Nd^3+^ β<i>''</i>-alumina Acta Crystallographica Section B 49(3) (1993) 491-496 Space group: R -3 m :H Cell volume: 915.6 Cell parameters: 5.627; 5.627; 33.39; 90; 90; 120; |
| COD ID: 2100938 | |
| CIF file | Formula: - C3 H13 Al3.96 Cr0.04 N O18 P4 - Comments: Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J. Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43 Acta Crystallographica Section B 49(3) (1993) 413-420 Space group: P -1 Cell volume: 918.67 Cell parameters: 9.668; 9.6572; 10.623; 74.161; 74.675; 88.974; |
| COD ID: 2100939 | |
| CIF file | Formula: - C3 H13 Al3.96 Cr0.04 N O18 P4 - Comments: Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J. Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43 Acta Crystallographica Section B 49(3) (1993) 413-420 Space group: P -1 Cell volume: 913.1 Cell parameters: 9.6455; 9.6406; 10.599; 74.159; 74.714; 88.955; |
| COD ID: 2100940 | |
| CIF file | Formula: - C3 H10 Al2 N O8 P2 - Comments: Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J. Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43 Acta Crystallographica Section B 49(3) (1993) 413-420 Space group: F d d d {origin @ -1 @ d d d} Cell volume: 2057.2 Cell parameters: 14.158; 14.441; 10.062; 90; 90; 90; |
| COD ID: 2100941 | |
| CIF file | Formula: - C3 H10 Al2 N O8 P2 - Comments: Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J. Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43 Acta Crystallographica Section B 49(3) (1993) 413-420 Space group: F d d d {origin @ -1 @ d d d} Cell volume: 2020.3 Cell parameters: 14.052; 14.36; 10.012; 90; 90; 90; |
| COD ID: 2100942 | |
| CIF file | Formula: - O5 S Ti - Comments: Gatehouse, B. M.; Platts, S. N.; Williams, T. B. Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure Acta Crystallographica Section B 49(3) (1993) 428-435 Space group: P m m a Cell volume: 1451.9 Cell parameters: 10.942; 5.158; 25.726; 90; 90; 90; |
| COD ID: 2100943 | |
| CIF file | Formula: - H2 O6 S Ti - Comments: Gatehouse, B. M.; Platts, S. N.; Williams, T. B. Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure Acta Crystallographica Section B 49(3) (1993) 428-435 Space group: P 21 21 21 Cell volume: 434.11 Cell parameters: 9.818; 5.133; 8.614; 90; 90; 90; |
| COD ID: 2100944 | |
| CIF file | Formula: - C8 H32 Br2 Cl4 N8 O16 Pt2 - Comments: Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T. Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~ Acta Crystallographica Section B 49(3) (1993) 497-506 Space group: P 1 21/m 1 Cell volume: 705.01 Cell parameters: 8.544; 10.973; 7.972; 90; 109.39; 90; |
| COD ID: 2100945 | |
| CIF file | Formula: - C8 H32 Br2 Cl4 N8 O16 Pt2 - Comments: Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T. Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~ Acta Crystallographica Section B 49(3) (1993) 497-506 Space group: I c m a Cell volume: 1433.8 Cell parameters: 13.563; 10.939; 9.664; 90; 90; 90; |
| COD ID: 2100946 | |
| CIF file | Formula: - Al9 Er Ni3 - Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474 Space group: R 3 2 :H Cell volume: 1252.2 Cell parameters: 7.2716; 7.2716; 27.346; 90; 90; 120; |
| COD ID: 2100947 | |
| CIF file | Formula: - Al9 Gd Ni3 - Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474 Space group: R 3 2 :H Cell volume: 1464.5 Cell parameters: 7.3006; 7.3006; 27.478; 90; 90; 120; |
| COD ID: 2100948 | |
| CIF file | Formula: - Al9 Ni3 Y - Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474 Space group: R 3 2 :H Cell volume: 1457.5 Cell parameters: 7.2894; 7.2894; 27.43; 90; 90; 120; |
| COD ID: 2100949 | |
| CIF file | Formula: - Al9 Dy Ni3 - Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474 Space group: R 3 2 :H Cell volume: 1446.1 Cell parameters: 7.2723; 7.2723; 27.344; 90; 90; 120; |
| COD ID: 2100950 | |
| CIF file | Formula: - Al12 Gd3 Ru4 - Comments: Gladyshevskii, R. E.; Strusievicz, O. R.; Cenzual, K.; Parthé, E. Structure of Gd~3~Ru~4~Al~12~, a new member of the EuMg~5.2~ structure family with minority-atom clusters Acta Crystallographica Section B 49(3) (1993) 474-478 Space group: P 63/m m c Cell volume: 643.83 Cell parameters: 8.8142; 8.8142; 9.5692; 90; 90; 120; |
| COD ID: 2100951 | |
| CIF file | Formula: - C8 H16 As Cl3 O4 - Comments: Alcock, N. W.; Ravindran, M.; Willey, G. R. Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = 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 n m a Cell volume: 1394.9 Cell parameters: 7.864; 11.876; 14.936; 90; 90; 90; |
| COD ID: 2100952 | |
| CIF file | Formula: - C10 H20 As Cl3 O5 - Comments: Alcock, N. W.; Ravindran, M.; Willey, G. R. Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = 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 21 21 21 Cell volume: 1586.3 Cell parameters: 7.731; 12.815; 16.011; 90; 90; 90; |
| COD ID: 2100953 | |
| CIF file | Formula: - C8 H16 Cl3 O4 Sb - Comments: Alcock, N. W.; Ravindran, M.; Willey, G. R. Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = 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: 2100954 | |
| CIF file | Formula: - C10 H20 Bi Cl3 O5 - Comments: Alcock, N. W.; Ravindran, M.; Willey, G. R. Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = 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 21 21 21 Cell volume: 1628.8 Cell parameters: 7.692; 13.285; 15.939; 90; 90; 90; |
| COD ID: 2100955 | |
| CIF file | Formula: - C11 H15 N5 S - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P -1 Cell volume: 625.7 Cell parameters: 7.482; 9.775; 10.019; 116; 102; 96.78; |
| COD ID: 2100956 | |
| CIF file | Formula: - C12 H17 N5 O S - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P 1 21/a 1 Cell volume: 1408.7 Cell parameters: 8.67; 14.095; 11.682; 90; 99.32; 90; |
| COD ID: 2100957 | |
| CIF file | Formula: - C11 H14 Br N5 S - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P 1 21/c 1 Cell volume: 1404 Cell parameters: 10.928; 9.183; 14.229; 90; 100.4; 90; |
| COD ID: 2100958 | |
| CIF file | Formula: - C12 H19 N5 O - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: I 1 2/c 1 Cell volume: 2774.5 Cell parameters: 15.57; 10.39; 17.383; 90; 99.38; 90; |
| COD ID: 2100959 | |
| CIF file | Formula: - C13 H21 N5 O - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P -1 Cell volume: 711.1 Cell parameters: 7.86; 9.388; 9.706; 92.96; 95.89; 91.49; |
| COD ID: 2100960 | |
| CIF file | Formula: - C13 H19 N5 O - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: I 1 2/c 1 Cell volume: 5706.3 Cell parameters: 23.78; 9.162; 28.144; 90; 111.47; 90; |
| COD ID: 2100961 | |
| CIF file | Formula: - C12 H16 F N5 - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P 1 21/n 1 Cell volume: 1268.3 Cell parameters: 4.6267; 13.846; 19.828; 90; 93.14; 90; |
| COD ID: 2100962 | |
| CIF file | Formula: - C12 H16 Br N5 - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P 1 21/c 1 Cell volume: 1366.7 Cell parameters: 14.104; 12.678; 7.812; 90; 101.92; 90; |
| COD ID: 2100963 | |
| CIF file | Formula: - C13 H21 N5 O2 - Comments: Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B 49(3) (1993) 547-559 Space group: P -1 Cell volume: 736.66 Cell parameters: 7.7; 9.331; 10.767; 78.52; 85.56; 76.46; |
| COD ID: 2100964 | |
| CIF file | Formula: - C11 H13 N O4 - Comments: Feeder, N.; Jones, W. Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids Acta Crystallographica Section B 49(3) (1993) 541-546 Space group: P 1 21/n 1 Cell volume: 1154.8 Cell parameters: 5.135; 24.556; 9.496; 90; 105.33; 90; |
| COD ID: 2100965 | |
| CIF file | Formula: - C11 H13 N O3 - Comments: Feeder, N.; Jones, W. Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids Acta Crystallographica Section B 49(3) (1993) 541-546 Space group: P -1 Cell volume: 515 Cell parameters: 5.12; 6.595; 15.786; 100.98; 94.48; 98.15; |
| COD ID: 2100966 | |
| CIF file | Formula: - C12 H15 N O3 - Comments: Feeder, N.; Jones, W. Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids Acta Crystallographica Section B 49(3) (1993) 541-546 Space group: P 1 21/c 1 Cell volume: 1170.1 Cell parameters: 5.081; 24.066; 9.662; 90; 82.06; 90; |
| COD ID: 2100967 | |
| CIF file | Formula: - C16 H23 N O3 - Comments: Feeder, N.; Jones, W. Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids Acta Crystallographica Section B 49(3) (1993) 541-546 Space group: P -1 Cell volume: 757.9 Cell parameters: 5.176; 6.731; 22.127; 92.79; 91.13; 100.04; |
| COD ID: 2100968 | |
| CIF file | Formula: - C27 H32 N2 O6 - Comments: Oleksyn, B. J.; Serda, P. Salt-bridge formation by <i>Cinchona</i> alkaloids: quininium salicylate monohydrate Acta Crystallographica Section B 49(3) (1993) 530-534 Space group: P 21 21 21 Cell volume: 2437.2 Cell parameters: 6.957; 17.108; 20.477; 90; 90; 90; |
| COD ID: 2100969 | |
| CIF file | Formula: - C4 H21 Al3 N4 Ni O18 P4 - Comments: Helliwell, M.; Gallois, B.; Kariuki, B. M.; Kaucic, V.; Helliwell, J. R. A two-wavelength crystallographic study of a new aluminophosphate containing nickel Acta Crystallographica Section B 49(3) (1993) 420-428 Space group: P 1 21/n 1 Cell volume: 2169.3 Cell parameters: 10.0209; 15.661; 14.0914; 90; 101.216; 90; |
| COD ID: 2100970 | |
| CIF file | Formula: - C4 H21 Al3 N4 Ni O18 P4 - Comments: Helliwell, M.; Gallois, B.; Kariuki, B. M.; Kaucic, V.; Helliwell, J. R. A two-wavelength crystallographic study of a new aluminophosphate containing nickel Acta Crystallographica Section B 49(3) (1993) 420-428 Space group: P 1 21/n 1 Cell volume: 2180 Cell parameters: 10.03; 15.67; 14.14; 90; 101.3; 90; |
| COD ID: 2100971 | |
| CIF file | Formula: - C40 H65 N7 O10 - Comments: Vlassi, M.; Brueckner, H.; Kokkinidis, M. Peptide with built-in conformational constraints: structure of Z-(Aib)~7~-O^<i>t^</i>Bu Acta Crystallographica Section B 49(3) (1993) 560-564 Space group: P -1 Cell volume: 2445.7 Cell parameters: 10.082; 15.523; 16.301; 87.32; 77; 79.7; |
| COD ID: 2100973 | |
| CIF file | Formula: - C39 H85 Mo5 N5 O23 S2 - Comments: Maginn, S. J.; Harding, M. M.; Campbell, J. W. Structure determination of a complex pentamolybdodisulfate from synchrotron radiation Laue diffraction photographs: derivation and application of a wavelength-dependent absorption correction Acta Crystallographica Section B 49(3) (1993) 520-524 Space group: P 1 21/n 1 Cell volume: 5775 Cell parameters: 12.712; 30.83; 14.745; 90; 88.02; 90; |
| COD ID: 2100974 | |
| CIF file | Formula: - C22 H23 Ir N2 O4 - Comments: Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D. Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~ Acta Crystallographica Section B 49(3) (1993) 515-519 Space group: C 1 2/c 1 Cell volume: 3943.1 Cell parameters: 17.87; 12.045; 18.641; 90; 100.66; 90; |
| COD ID: 2100975 | |
| CIF file | Formula: - C36 H41 Cl2 Ir N4 O8 - Comments: Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D. Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~ Acta Crystallographica Section B 49(3) (1993) 515-519 Space group: P 1 21/c 1 Cell volume: 3788 Cell parameters: 9.87; 14.908; 25.931; 90; 96.91; 90; |
| COD ID: 2100976 | |
| CIF file | Formula: - B Mg3 N3 - Comments: Hiraguchi, H.; Hashizume, H.; Sasaki, S.; Nakano, S.; Fukunaga, O. Structure of a high-pressure polymorph of Mg~3~BN~3~ determined from X-ray powder data Acta Crystallographica Section B 49(3) (1993) 478-483 Space group: P m m m Cell volume: 74.642 Cell parameters: 3.0933; 3.1336; 7.7005; 90; 90; 90; |
| COD ID: 2100977 | |
| CIF file | Formula: - C5 H7 N3 O6 S - Comments: Pecaut, J.; Le Fur, Y.; Masse, R. Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^} Acta Crystallographica Section B 49(3) (1993) 535-541 Space group: P c a b Cell volume: 3519.6 Cell parameters: 29.617; 13.185; 9.013; 90; 90; 90; |
| COD ID: 2100978 | |
| CIF file | Formula: - C5 H8 As N3 O6 - Comments: Pecaut, J.; Le Fur, Y.; Masse, R. Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^} Acta Crystallographica Section B 49(3) (1993) 535-541 Space group: P n a 21 Cell volume: 949.1 Cell parameters: 25.777; 6.333; 5.814; 90; 90; 90; |
| COD ID: 2100979 | |
| CIF file | Formula: - Al11 Mg Na O19 U2 - Comments: Wolf, M.; Wendsjö, Å.; Thomas, J. O.; Barrie, J. D. Structure of the luminescent system Na^+^/UO~2~^+^ β''-alumina Acta Crystallographica Section B 49(4) (1993) 610-614 Space group: R -3 m :H Cell volume: 922.07 Cell parameters: 5.6206; 5.6206; 33.703; 90; 90; 120; |
| COD ID: 2100980 | |
| CIF file | Formula: - C42 H60 N12 O12 S2 - Comments: Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B 49(4) (1993) 760-768 Space group: I 1 2/c 1 Cell volume: 5161 Cell parameters: 16.304; 20.321; 15.939; 90; 102.25; 90; |
| COD ID: 2100981 | |
| CIF file | Formula: - C23 H36 N4 O8 S2 - Comments: Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B 49(4) (1993) 760-768 Space group: P 1 21/n 1 Cell volume: 2918.8 Cell parameters: 8.355; 40.104; 9.339; 90; 111.13; 90; |
| COD ID: 2100982 | |
| CIF file | Formula: - C38 H54 N10 O10 S2 - Comments: Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B 49(4) (1993) 760-768 Space group: P 1 21/c 1 Cell volume: 2242.8 Cell parameters: 13.558; 14.57; 11.404; 90; 95.38; 90; |
| COD ID: 2100983 | |
| CIF file | Formula: - Ba4 Nb14 O23 - Comments: Svensson, G.; Grins, J. Structure of Ba~4~Nb~14~O~23~ Acta Crystallographica Section B 49(4) (1993) 626-631 Space group: C m m m Cell volume: 1074.2 Cell parameters: 20.79; 12.453; 4.149; 90; 90; 90; |
| COD ID: 2100984 | |
| CIF file | Formula: - F2 Ni - Comments: Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B 49(4) (1993) 591-599 Space group: P 42/m n m Cell volume: 66.67 Cell parameters: 4.6497; 4.6497; 3.0836; 90; 90; 90; |
| COD ID: 2100985 | |
| CIF file | Formula: - F2 Ni - Comments: Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B 49(4) (1993) 591-599 Space group: P 42/m n m Cell volume: 66.67 Cell parameters: 4.6497; 4.6497; 3.0836; 90; 90; 90; |
| COD ID: 2100986 | |
| CIF file | Formula: - Co F2 - Comments: Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B 49(4) (1993) 591-599 Space group: P 42/m n m Cell volume: 70.1 Cell parameters: 4.695; 4.695; 3.1817; 90; 90; 90; |
| COD ID: 2100987 | |
| CIF file | Formula: - Co F2 - Comments: Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R. Charge densities of two rutile structures: NiF~2~ and CoF~2~ Acta Crystallographica Section B 49(4) (1993) 591-599 Space group: P 42/m n m Cell volume: 70.1 Cell parameters: 4.695; 4.695; 3.1817; 90; 90; 90; |
| COD ID: 2100988 | |
| CIF file | Formula: - Al Na O4 Si - Comments: Withers, R. L.; Thompson, J. G. Modulation wave approach to the structural parameterization and Rietveld refinement of low carnegieite Acta Crystallographica Section B 49(4) (1993) 614-626 Space group: P b 21 a Cell volume: 742.354 Cell parameters: 10.261; 14.03; 5.1566; 90; 90; 90; |
| COD ID: 2100989 | |
| CIF file | Formula: - C4 H12 Br3 Cd N - Comments: Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T. X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB) Acta Crystallographica Section B 49(4) (1993) 691-698 Space group: P 63/m Cell volume: 533.6 Cell parameters: 9.388; 9.388; 6.991; 90; 90; 120; |
| COD ID: 2100990 | |
| CIF file | Formula: - C4 H12 Br3 Cd N - Comments: Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T. X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB) Acta Crystallographica Section B 49(4) (1993) 691-698 Space group: P 61 Cell volume: 1535.4 Cell parameters: 9.219; 9.219; 20.86; 90; 90; 120; |
| COD ID: 2100991 | |
| CIF file | Formula: - C4 H12 Br3 Cd N - Comments: Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T. X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB) Acta Crystallographica Section B 49(4) (1993) 691-698 Space group: P 63/m Cell volume: 533.6 Cell parameters: 9.388; 9.388; 6.991; 90; 90; 120; |
| COD ID: 2100992 | |
| CIF file | Formula: - C Ca O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R. X-ray study of the electron density in calcite, CaCo~3~ Acta Crystallographica Section B 49(4) (1993) 636-641 Space group: R -3 c :H Cell volume: 368.1 Cell parameters: 4.991; 4.991; 17.062; 90; 90; 120; |
| COD ID: 2100993 | |
| CIF file | Formula: - C11 H12 Cl2 - Comments: Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T. Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes Acta Crystallographica Section B 49(4) (1993) 704-708 Space group: P -1 Cell volume: 537.7 Cell parameters: 6.729; 9.176; 9.49; 94.49; 107.42; 103.12; |
| COD ID: 2100994 | |
| CIF file | Formula: - C13 H14 Br2 - Comments: Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T. Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes Acta Crystallographica Section B 49(4) (1993) 704-708 Space group: P -1 Cell volume: 647.1 Cell parameters: 7.433; 9.508; 10.12; 111.69; 93.81; 100.23; |
| COD ID: 2100995 | |
| CIF file | Formula: - C50 H39 Ir N3 O P2 - Comments: Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B 49(4) (1993) 680-685 Space group: P -1 Cell volume: 2181.5 Cell parameters: 11.549; 12.528; 16.931; 91.13; 99.45; 114.87; |
| COD ID: 2100996 | |
| CIF file | Formula: - C50 H39 Ir N3 O P2 - Comments: Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B 49(4) (1993) 680-685 Space group: P -1 Cell volume: 2108.3 Cell parameters: 11.33; 12.337; 16.908; 91.61; 99.6; 114.48; |
| COD ID: 2100997 | |
| CIF file | Formula: - C50 H39 N3 O P2 Rh - Comments: Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F. Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^}) Acta Crystallographica Section B 49(4) (1993) 680-685 Space group: P -1 Cell volume: 2118.8 Cell parameters: 11.759; 11.779; 16.352; 102.21; 104.61; 94.92; |
| COD ID: 2100998 | |
| CIF file | Formula: - C9 H12 N2 O5 S - Comments: Li, H.; Kennedy, S. D.; Goldstein, B. M. Solid-state and solution conformations of isotiazofurin: crystallographic, computational and ^1^H NMR studies Acta Crystallographica Section B 49(4) (1993) 729-738 Space group: P 21 21 21 Cell volume: 1126.2 Cell parameters: 6.733; 6.831; 24.486; 90; 90; 90; |
| COD ID: 2100999 | |
| CIF file | Formula: - C12 H24 S4 - Comments: Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M. Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane) Acta Crystallographica Section B 49(4) (1993) 773-779 Space group: P b c 21 Cell volume: 1577.6 Cell parameters: 17.7366; 9.8219; 9.0558; 90; 90; 90; |
| COD ID: 2101000 | |
| CIF file | Formula: - C12 H24 S4 - Comments: Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M. Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane) Acta Crystallographica Section B 49(4) (1993) 773-779 Space group: P 1 21 1 Cell volume: 793.3 Cell parameters: 5.5605; 8.124; 17.662; 90; 96.108; 90; |
| COD ID: 2101001 | |
| CIF file | Formula: - C21 H15 N3 O2 - Comments: Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B 49(4) (1993) 719-726 Space group: P 1 21 1 Cell volume: 843.75 Cell parameters: 12.1646; 5.5988; 12.389; 90; 90.47; 90; |
| COD ID: 2101002 | |
| CIF file | Formula: - C21 H14 Cl N3 O2 - Comments: Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B 49(4) (1993) 719-726 Space group: P 1 21/a 1 Cell volume: 1879 Cell parameters: 10.9354; 14.502; 13.019; 90; 114.481; 90; |
| COD ID: 2101003 | |
| CIF file | Formula: - C22 H17 N3 O2 - Comments: Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B 49(4) (1993) 719-726 Space group: P 1 21/c 1 Cell volume: 1763.3 Cell parameters: 5.618; 30.329; 10.456; 90; 98.21; 90; |
| COD ID: 2101004 | |
| CIF file | Formula: - C21 H14 Cl N3 O2 - Comments: Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B 49(4) (1993) 719-726 Space group: P b c a Cell volume: 3501.7 Cell parameters: 13.9347; 9.6794; 25.962; 90; 90; 90; |
| COD ID: 2101005 | |
| CIF file | Formula: - C23 H18 N2 O2 - Comments: Duke, N. E. C.; Codding, P. W. Structural and molecular modeling studies of quinazolinone anticonvulsants Acta Crystallographica Section B 49(4) (1993) 719-726 Space group: P b c a Cell volume: 3728 Cell parameters: 10.2078; 10.237; 35.676; 90; 90; 90; |
| COD ID: 2101006 | |
| CIF file | Formula: - C26 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(4) (1993) 754-760 Space group: P -1 Cell volume: 995.81 Cell parameters: 10.713; 11.991; 8.177; 95.71; 105.14; 79.61; |
| COD ID: 2101007 | |
| CIF file | Formula: - C26 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(4) (1993) 754-760 Space group: P 1 21/n 1 Cell volume: 1969.2 Cell parameters: 10.206; 16.485; 11.758; 90; 95.48; 90; |
| COD ID: 2101008 | |
| CIF file | Formula: - C26 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(4) (1993) 754-760 Space group: P -1 Cell volume: 2087.6 Cell parameters: 11.074; 25.298; 7.668; 94.22; 94.53; 101.77; |
| COD ID: 2101009 | |
| CIF file | Formula: - C24 H23 N O5 - Comments: Lenstra, A. T. H.; Geise, H. J.; De Vos, E.; Esmans, E. L.; Alderweireldt, F. C.; Dillen, J. L. M. 2-(2,4:3,5-Di-<i>O</i>-benzylidene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>allo</i>-pentitol-1-yl)pyridine, C~24~H~23~NO~5~ Acta Crystallographica Section B 49(4) (1993) 699-703 Space group: P 21 21 21 Cell volume: 2030.2 Cell parameters: 8.762; 13.984; 16.569; 90; 90; 90; |
| COD ID: 2101010 | |
| CIF file | Formula: - C14 H17 N3 O2 - Comments: Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K. Structures of two indolactams Acta Crystallographica Section B 49(4) (1993) 769-773 Space group: P 1 21/c 1 Cell volume: 1342 Cell parameters: 16.48; 6.399; 13.88; 90; 113.5; 90; |
| COD ID: 2101011 | |
| CIF file | Formula: - C17 H23 N3 O2 - Comments: Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K. Structures of two indolactams Acta Crystallographica Section B 49(4) (1993) 769-773 Space group: P 1 21/n 1 Cell volume: 1609.9 Cell parameters: 15.248; 17.578; 6.01; 90; 92.01; 90; |
| COD ID: 2101012 | |
| CIF file | Formula: - C44 H32 N4 Ni S32 - Comments: Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L. Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~] Acta Crystallographica Section B 49(4) (1993) 685-691 Space group: P -1 Cell volume: 1533.7 Cell parameters: 9.677; 10.96; 16.392; 95.95; 97.85; 115.13; |
| COD ID: 2101013 | |
| CIF file | Formula: - C44 H32 N4 Ni S32 - Comments: Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L. Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~] Acta Crystallographica Section B 49(4) (1993) 685-691 Space group: P -1 Cell volume: 1506.8 Cell parameters: 9.721; 10.761; 16.431; 95.87; 98.17; 115.71; |
| COD ID: 2101014 | |
| CIF file | Formula: - C10 H18 N O7 Si4 - Comments: Miehe, G.; Vogt, T.; Fuess, H.; Müller, U. A study of disorder in the SiO~2~ host lattice of dodecasil 1H using synchrotron radiation Acta Crystallographica Section B 49(4) (1993) 745-754 Space group: P 6/m m m Cell volume: 2138.3 Cell parameters: 13.826; 13.826; 11.186; 90; 90; 120; |
| COD ID: 2101015 | |
| CIF file | Formula: - C38 H40 O8 - Comments: Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B 49(4) (1993) 708-718 Space group: P 1 21/n 1 Cell volume: 6717.3 Cell parameters: 28.883; 15.189; 15.566; 90; 100.37; 90; |
| COD ID: 2101016 | |
| CIF file | Formula: - C38 H40 O8 - Comments: Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B 49(4) (1993) 708-718 Space group: P 1 21/c 1 Cell volume: 3407.7 Cell parameters: 14.269; 14.862; 16.506; 90; 103.21; 90; |
| COD ID: 2101017 | |
| CIF file | Formula: - C38 H40 O8 - Comments: Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B 49(4) (1993) 708-718 Space group: P 1 21/c 1 Cell volume: 3450 Cell parameters: 14.464; 14.923; 16.385; 90; 102.73; 90; |
| COD ID: 2101018 | |
| CIF file | Formula: - C38 H40 O8 - Comments: Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R. `Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol Acta Crystallographica Section B 49(4) (1993) 708-718 Space group: P 1 21/c 1 Cell volume: 3538 Cell parameters: 16.261; 15.23; 14.385; 90; 96.73; 90; |
| COD ID: 2101019 | |
| CIF file | Formula: - Al4 Ca Fe H2 Li Mg Na O12 Si - Comments: Kassner, D.; Baur, W. H.; Joswig, W.; Eichhorn, K.; Wendschuh-Josties, M.; Kupcik, V. A test of the importance of weak reflections in resolving a space-group ambiguity involving the presence or absence of an inversion centre Acta Crystallographica Section B 49(4) (1993) 646-654 Space group: C 1 c 1 Cell volume: 864.96 Cell parameters: 5.1138; 8.8569; 19.1851; 90; 95.484; 90; |
| COD ID: 2101020 | |
| CIF file | Formula: - C8 H13 Ca Na2 O13 - Comments: Emge, T. J.; Oliver, J. D.; Connor, D. S.; Thoman, S. M.; Jason, M. E. Structure of disodium monocalcium tartrate monosuccinate trihydrate, Na~2~(CaTMS).3H~2~O Acta Crystallographica Section B 49(4) (1993) 675-679 Space group: P 1 21/n 1 Cell volume: 1446.8 Cell parameters: 7.989; 16.543; 11.416; 90; 106.48; 90; |
| COD ID: 2101021 | |
| CIF file | Formula: - C47 H37 Fe O3 P Sn - Comments: Gibson, D. H.; Richardson, J. F.; Mbadike, O. P. 1-Carbonyl-μ-carboxylato-1κ<i>C</i>:2κ<i>O</i>:2κ<i>O</i>'-1-η^5^-indenyl-2,2,2-triphenyl-1-(triphenylphosphine)irontin Acta Crystallographica Section B 49(4) (1993) 784-786 Space group: P 1 21/n 1 Cell volume: 3829 Cell parameters: 17.715; 13.156; 17.749; 90; 112.22; 90; |
| COD ID: 2101022 | |
| CIF file | Formula: - K3 Na O8 Se2 - Comments: Fábry, J.; Breczewski, T.; Petrícek, V. Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K Acta Crystallographica Section B 49(5) (1993) 826-832 Space group: C 1 2/c 1 Cell volume: 895.6 Cell parameters: 10.162; 5.867; 15.021; 90; 90; 90; |
| COD ID: 2101023 | |
| CIF file | Formula: - K3 Na O8 Se2 - Comments: Fábry, J.; Breczewski, T.; Petrícek, V. Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K Acta Crystallographica Section B 49(5) (1993) 826-832 Space group: P -3 m 1 Cell volume: 228.13 Cell parameters: 5.906; 5.906; 7.552; 90; 90; 120; |
| COD ID: 2101024 | |
| CIF file | Formula: - F4 K2 Ni - Comments: Yeh, S. K.; Wu, S. Y.; Lee, C. S.; Wang, Y. Electron-density distribution in a crystal of potassium tetrafluoronickelate, K~2~NiF~4~ Acta Crystallographica Section B 49(5) (1993) 806-811 Space group: I 4/m m m Cell volume: 210.78 Cell parameters: 4.013; 4.013; 13.088; 90; 90; 90; |
| COD ID: 2101025 | |
| CIF file | Formula: - C19 H29 Co N6 O4 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1097.7 Cell parameters: 8.712; 13.306; 9.531; 90; 96.51; 90; |
| COD ID: 2101026 | |
| CIF file | Formula: - C19 H29 Co N6 O4 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1104.8 Cell parameters: 8.746; 13.332; 9.538; 90; 96.6; 90; |
| COD ID: 2101027 | |
| CIF file | Formula: - C19 H29 Co N6 O4 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1113.3 Cell parameters: 8.777; 13.39; 9.54; 90; 96.79; 90; |
| COD ID: 2101028 | |
| CIF file | Formula: - C19 H29 Co N6 O4 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1122.7 Cell parameters: 8.818; 13.426; 9.553; 90; 96.93; 90; |
| COD ID: 2101029 | |
| CIF file | Formula: - C19 H29 Co N6 O4 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1125.5 Cell parameters: 8.818; 13.713; 9.419; 90; 98.8; 90; |
| COD ID: 2101030 | |
| CIF file | Formula: - C19 H33 Co N6 O6 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1212.5 Cell parameters: 16.783; 10.739; 6.826; 90; 99.76; 90; |
| COD ID: 2101031 | |
| CIF file | Formula: - C19 H33 Co N6 O6 - Comments: Takenaka, Y.; Kojima, Y.; Ohashi, Y. Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime Acta Crystallographica Section B 49(5) (1993) 852-859 Space group: P 1 21 1 Cell volume: 1229.5 Cell parameters: 16.938; 10.758; 6.848; 90; 99.84; 90; |
| COD ID: 2101032 | |
| CIF file | Formula: - C19 H16 O - Comments: Desiraju, G. R.; Kashino, S.; Coombs, M. M.; Glusker, J. P. C‒H···O packing motifs in some cyclopenta[<i>a</i>]phenanthrenes Acta Crystallographica Section B 49(5) (1993) 880-892 Space group: P b c a Cell volume: 2737.2 Cell parameters: 17.012; 21.042; 7.6465; 90; 90; 90; |
| COD ID: 2101033 | |
| CIF file | Formula: - Ca H2 O2 - Comments: Desgranges, L.; Grebille, D.; Calvarin, G.; Chevrier, G.; Floquet, N.; Niepce, J.-C. Hydrogen thermal motion in calcium hydroxide: Ca(OH)~2~ Acta Crystallographica Section B 49(5) (1993) 812-817 Space group: P -3 m 1 Cell volume: 54.8 Cell parameters: 3.589; 3.589; 4.9111; 90; 90; 120; |
| COD ID: 2101034 | |
| CIF file | Formula: - C58 H47 N O12 - Comments: Forman, J. E.; Marsh, R. E.; Schaefer, W. P.; Dougherty, D. A. Structure of a cyclophane host molecule Acta Crystallographica Section B 49(5) (1993) 892-896 Space group: P 21 21 21 Cell volume: 4912 Cell parameters: 11.741; 16.155; 25.895; 90; 90; 90; |
| COD ID: 2101035 | |
| CIF file | Formula: - C21 H17 Cl O4 - Comments: Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(5) (1993) 905-909 Space group: P 1 21/c 1 Cell volume: 1750 Cell parameters: 10.087; 16.207; 11.233; 90; 107.64; 90; |
| COD ID: 2101036 | |
| CIF file | Formula: - C21 H17 Cl O4 - Comments: Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(5) (1993) 905-909 Space group: P -1 Cell volume: 1771.2 Cell parameters: 13.893; 15.968; 8.191; 98.13; 91.78; 99.54; |
| COD ID: 2101037 | |
| CIF file | Formula: - C21 H17 Cl O4 - Comments: Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 49(5) (1993) 905-909 Space group: P 1 21/c 1 Cell volume: 1784.8 Cell parameters: 14.777; 8.581; 15.192; 90; 112.1; 90; |
| COD ID: 2101038 | |
| CIF file | Formula: - Cu D20 N2 O14 S2 - Comments: Figgis, B. N.; Iversen, B. B.; Larson, F. K.; Reynolds, P. A. <i>X</i>‒<i>N</i> study of the electron density in (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 9 K: flexible radial functions are vital Acta Crystallographica Section B 49(5) (1993) 794-806 Space group: P 1 21/a 1 Cell volume: 689 Cell parameters: 9.393; 12.666; 6.061; 90; 107.16; 90; |
| COD ID: 2101039 | |
| CIF file | Formula: - O3 Pb Zr - Comments: Glazer, A. M.; Roleder, K.; Dec, J. Structure and disorder in single-crystal lead zirconate, PbZrO~3~ Acta Crystallographica Section B 49(5) (1993) 846-852 Space group: P b a m Cell volume: 570.9 Cell parameters: 5.889; 11.784; 8.226; 90; 90; 90; |
| COD ID: 2101040 | |
| CIF file | Formula: - C18 H14 O3 - Comments: Kumar, V. A.; Venkatesan, K. Studies on photochromism of a thermally stable fulgide in the crystalline state: X-ray crystallographic investigation of (<i>E</i>)-2-isopropylidene-3-(1-naphthylmethylene)succinic anhydride Acta Crystallographica Section B 49(5) (1993) 896-900 Space group: P 1 21/c 1 Cell volume: 1399.6 Cell parameters: 13.408; 8.762; 13.431; 90; 117.5; 90; |
| COD ID: 2101041 | |
| CIF file | Formula: - C11 H16 N2 O2 - Comments: Dastidar, P.; Guru Row, T. N.; Venkatesan, K. Structural studies of `push–pull' butadienes Acta Crystallographica Section B 49(5) (1993) 900-905 Space group: P 1 21/n 1 Cell volume: 1205.5 Cell parameters: 7.679; 13.368; 11.756; 90; 92.62; 90; |
| COD ID: 2101042 | |
| CIF file | Formula: - C14 H12 N2 S2 - Comments: Dastidar, P.; Guru Row, T. N.; Venkatesan, K. Structural studies of `push–pull' butadienes Acta Crystallographica Section B 49(5) (1993) 900-905 Space group: P -1 Cell volume: 704.2 Cell parameters: 8.833; 9.419; 9.52; 106.77; 93.14; 109.61; |
| COD ID: 2101043 | |
| CIF file | Formula: - C16 H18 N2 O2 - Comments: Dastidar, P.; Guru Row, T. N.; Venkatesan, K. Structural studies of `push‒pull' butadienes Acta Crystallographica Section B 49(5) (1993) 900-905 Space group: C 1 2/c 1 Cell volume: 2976 Cell parameters: 17.468; 13.75; 15.218; 90; 125.49; 90; |
| COD ID: 2101044 | |
| CIF file | Formula: - C15 H15 N3 S - Comments: Dastidar, P.; Guru Row, T. N.; Venkatesan, K. Structural studies of `push–pull' butadienes Acta Crystallographica Section B 49(5) (1993) 900-905 Space group: P 1 21/n 1 Cell volume: 1458.2 Cell parameters: 9.951; 10.04; 14.764; 90; 98.67; 90; |
| COD ID: 2101045 | |
| CIF file | Formula: - K O16 Ti8 - Comments: Sasaki, T.; Watanabe, M.; Fujiki, Y. Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~ Acta Crystallographica Section B 49(5) (1993) 838-841 Space group: I 4/m Cell volume: 306.75 Cell parameters: 10.1776; 10.1776; 2.9614; 90; 90; 90; |
| COD ID: 2101046 | |
| CIF file | Formula: - K0 O16 Ti8 - Comments: Sasaki, T.; Watanabe, M.; Fujiki, Y. Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~ Acta Crystallographica Section B 49(5) (1993) 838-841 Space group: I 4/m Cell volume: 306.11 Cell parameters: 10.164; 10.164; 2.9631; 90; 90; 90; |
| COD ID: 2101047 | |
| CIF file | Formula: - Al12 Cs H44 N11 O96 Si36 - Comments: Bieniok, A.; Baur, W. H. Phase transition of zeolite NH~4~-Rho to a high-temperature but low-volume form Acta Crystallographica Section B 49(5) (1993) 817-822 Space group: I -4 3 m Cell volume: 3036.22 Cell parameters: 14.4803; 14.4803; 14.4803; 90; 90; 90; |
| COD ID: 2101048 | |
| CIF file | Formula: - Al12 Cs H44 N11 O96 Si36 - Comments: Bieniok, A.; Baur, W. H. Phase transition of zeolite NH~4~-Rho to a high-temperature but low-volume form Acta Crystallographica Section B 49(5) (1993) 817-822 Space group: I -4 3 m Cell volume: 3252.84 Cell parameters: 14.8168; 14.8168; 14.8168; 90; 90; 90; |
| COD ID: 2101049 | |
| CIF file | Formula: - O8 W3 - Comments: Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P. Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images Acta Crystallographica Section B 49(6) (1993) 951-958 Space group: C 2 2 2 Cell volume: 252.97 Cell parameters: 6.386; 10.43; 3.798; 90; 90; 90; |
| COD ID: 2101050 | |
| CIF file | Formula: - O8 W3 - Comments: Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P. Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images Acta Crystallographica Section B 49(6) (1993) 951-958 Space group: P 21 21 2 Cell volume: 546.462 Cell parameters: 10.35; 13.99; 3.774; 90; 90; 90; |
| COD ID: 2101051 | |
| CIF file | Formula: - C12 H8 Cl2 O2 S - Comments: Zúñiga, F. J.; Pérez-Mato, J. M.; Breczewski, T. Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K Acta Crystallographica Section B 49(6) (1993) 1060-1068 Space group: I 1 2/a 1 Cell volume: 1195.5 Cell parameters: 20.2; 4.91; 12.054; 90; 90.02; 90; |
| COD ID: 2101052 | |
| CIF file | Formula: - Al2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B 49(6) (1993) 973-980 Space group: R -3 c :H Cell volume: 254.09 Cell parameters: 4.754; 4.754; 12.982; 90; 90; 120; |
| COD ID: 2101053 | |
| CIF file | Formula: - Al2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B 49(6) (1993) 973-980 Space group: R -3 c :H Cell volume: 254.09 Cell parameters: 4.754; 4.754; 12.982; 90; 90; 120; |
| COD ID: 2101054 | |
| CIF file | Formula: - Al2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B 49(6) (1993) 973-980 Space group: R -3 c :H Cell volume: 254.09 Cell parameters: 4.754; 4.754; 12.982; 90; 90; 120; |
| COD ID: 2101055 | |
| CIF file | Formula: - Al2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B 49(6) (1993) 973-980 Space group: R -3 c :H Cell volume: 254.09 Cell parameters: 4.754; 4.754; 12.982; 90; 90; 120; |
| COD ID: 2101056 | |
| CIF file | Formula: - Al2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y. Synchrotron X-ray study of the electron density in α-Al~2~O~3~ Acta Crystallographica Section B 49(6) (1993) 973-980 Space group: R -3 c :H Cell volume: 254.09 Cell parameters: 4.754; 4.754; 12.982; 90; 90; 120; |
| COD ID: 2101057 | |
| CIF file | Formula: - C Mg O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R. X-ray study of the electron density in magnesite MgCO~3~ Acta Crystallographica Section B 49(6) (1993) 980-984 Space group: R -3 c :H Cell volume: 279.5 Cell parameters: 4.635; 4.635; 15.023; 90; 90; 120; |
| COD ID: 2101058 | |
| CIF file | Formula: - C6 H4 N2 O4 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: P 1 21/n 1 Cell volume: 333.51 Cell parameters: 10.941; 5.3813; 5.6684; 90; 92.116; 90; |
| COD ID: 2101059 | |
| CIF file | Formula: - C7 H5 N O4 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: A 1 2/a 1 Cell volume: 1346.81 Cell parameters: 12.857; 5.0272; 20.997; 90; 97.072; 90; |
| COD ID: 2101060 | |
| CIF file | Formula: - C7 H6 N2 O3 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: P 1 21/c 1 Cell volume: 694.4 Cell parameters: 7.393; 6.8005; 13.814; 90; 90.88; 90; |
| COD ID: 2101061 | |
| CIF file | Formula: - C7 H5 N2 O3 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: P 1 21/c 1 Cell volume: 731.71 Cell parameters: 6.2336; 4.8377; 24.352; 90; 94.87; 90; |
| COD ID: 2101062 | |
| CIF file | Formula: - C6 H6 N2 O2 - Comments: Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I. Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives Acta Crystallographica Section B 49(6) (1993) 1031-1039 Space group: P 1 21/n 1 Cell volume: 619.42 Cell parameters: 12.122; 6.0276; 8.487; 90; 92.72; 90; |
| COD ID: 2101063 | |
| CIF file | Formula: - C15 H27 Co N6 O4 - Comments: Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y. Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime Acta Crystallographica Section B 49(6) (1993) 1015-1020 Space group: P 1 Cell volume: 1994.3 Cell parameters: 11.723; 15.658; 11.118; 98.71; 90.17; 98.52; |
| COD ID: 2101064 | |
| CIF file | Formula: - C24 H36 Co N6 O4 - Comments: Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y. Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime Acta Crystallographica Section B 49(6) (1993) 1015-1020 Space group: P 1 21/a 1 Cell volume: 2763.3 Cell parameters: 16.621; 18.803; 9.155; 90; 105.03; 90; |
| COD ID: 2101065 | |
| CIF file | Formula: - C22 H34 Co N5 O8 - Comments: Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y. Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group Acta Crystallographica Section B 49(6) (1993) 1010-1014 Space group: P 1 21 1 Cell volume: 1317.1 Cell parameters: 9.125; 15.82; 9.348; 90; 102.57; 90; |
| COD ID: 2101066 | |
| CIF file | Formula: - C18 H36 Co N5 O9 - Comments: Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y. Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group Acta Crystallographica Section B 49(6) (1993) 1010-1014 Space group: P 1 21 1 Cell volume: 1256.3 Cell parameters: 9.803; 15.554; 9.267; 90; 117.24; 90; |
| COD ID: 2101067 | |
| CIF file | Formula: - C12 H10 O6 P2 Zr - Comments: Poojary, M. D.; Hu, H.-L.; Campbell, III, F. L.; Clearfield, A. Determination of crystal structures from limited powder data sets: crystal structure of zirconium phenylphosphonate Acta Crystallographica Section B 49(6) (1993) 996-1001 Space group: C 1 2/c 1 Cell volume: 1461.2 Cell parameters: 9.0985; 5.4154; 30.235; 90; 101.233; 90; |
| COD ID: 2101068 | |
| CIF file | Formula: - C21 H18 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters Acta Crystallographica Section B 49(6) (1993) 1049-1052 Space group: P n a 21 Cell volume: 1738.9 Cell parameters: 18.364; 10.485; 9.031; 90; 90; 90; |
| COD ID: 2101069 | |
| CIF file | Formula: - C22 H20 O4 - Comments: Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters Acta Crystallographica Section B 49(6) (1993) 1049-1052 Space group: P 1 21/n 1 Cell volume: 1839.9 Cell parameters: 9.121; 20.486; 10.028; 90; 100.91; 90; |
| COD ID: 2101070 | |
| CIF file | Formula: - Au Ce Cu5 - Comments: Ruck, M.; Portisch, G.; Schlager, H. G.; Sieck, M.; Löhneysen, H. v. Structure and electrical resistivity of the heavy fermion compound CeCu~5~Au Acta Crystallographica Section B 49(6) (1993) 936-941 Space group: P n m a Cell volume: 434.76 Cell parameters: 8.2455; 5.0866; 10.3659; 90; 90; 90; |
| COD ID: 2101071 | |
| CIF file | Formula: - C8 H18 P6 S5 - Comments: Blachnik, R.; Lönnecke, P.; Engelen, B.; Boldt, K. P~6~S~5~(C~4~H~9~)~2~, the first organophosphorus chalcogen molecule with a brexane skeleton Acta Crystallographica Section B 49(6) (1993) 1053-1055 Space group: P 1 21/c 1 Cell volume: 1941 Cell parameters: 12.255; 12.866; 12.522; 90; 100.53; 90; |
| COD ID: 2101072 | |
| CIF file | Formula: - C18 H10 Cl2 N2 O2 - Comments: Mizuguchi, J.; Grubenmann, A.; Rihs, G. Structures of 3,6-bis(3-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 3,6-bis(4-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B 49(6) (1993) 1056-1060 Space group: P -1 Cell volume: 361.97 Cell parameters: 3.785; 6.845; 14.485; 100.79; 97.6; 80.91; |
| COD ID: 2101073 | |
| CIF file | Formula: - C18 H10 Cl2 N2 O2 - Comments: Mizuguchi, J.; Grubenmann, A.; Rihs, G. Structures of 3,6-bis(3-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 3,6-bis(4-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B 49(6) (1993) 1056-1060 Space group: P 1 21/n 1 Cell volume: 720.8 Cell parameters: 5.658; 23.099; 5.585; 90; 99.07; 90; |
| COD ID: 2106880 | |
| CIF file | Formula: - Ho2 O3 - Comments: Bartos, A.; Lieb, K.P.; Wiarda, D.; Uhrmacher, M. Refinement of atomic positions in bixbyite oxides using perturbed angular correlation spectroscopy Acta Crystallographica B (39,1983-) 49 (1993) 165-169 Space group: I a -3 Cell volume: 1184.29 Cell parameters: 10.58; 10.58; 10.58; 90; 90; 90; |
| COD ID: 2106881 | |
| CIF file | Formula: - Gd2 O3 - Comments: Bartos, A.; Lieb, K.P.; Uhrmacher, M.; Wiarda, D. Refinement of atomic positions in bixbyite oxides using perturbed angular correlation spectroscopy Acta Crystallographica B (39,1983-) 49 (1993) 165-169 Space group: I a -3 Cell volume: 1256.22 Cell parameters: 10.79; 10.79; 10.79; 90; 90; 90; |
| COD ID: 2106928 | |
| CIF file | Formula: - Sr - Comments: Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K. Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process Acta Crystallographica B (39,1983-) 49 (1993) 929-936 Space group: P 3 1 c Cell volume: 199.904 Cell parameters: 6.646; 6.646; 5.226; 90; 90; 120; |
| COD ID: 2106934 | |
| CIF file | Formula: - Se2 Ta - Comments: Petricek, V.; Cisarova, I.; de Boer, J.L.; Zhou, W.; Meetsma, A.; Wiegers, A.; van Smaalen, S. The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2 Acta Crystallographica B (39,1983-) 49 (1993) 258-266 Space group: F m 2 m Cell volume: 497.125 Cell parameters: 3.421; 5.97; 24.341; 90; 90; 90; |
| COD ID: 2106935 | |
| CIF file | Formula: - Bi Se - Comments: Petricek, V.; Cisarova, I.; de Boer, J.L.; van Smaalen, S.; Meetsma, A.; Zhou, W.; Wiegers, A. The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2 Acta Crystallographica B (39,1983-) 49 (1993) 258-266 Space group: P m 2 m Cell volume: 113.886 Cell parameters: 3.135; 2.984; 12.174; 90; 90; 90; |
| COD ID: 5000038 | |
| CIF file | Formula: - O2 Zr - Comments: Martin, U; Boysen, H; Frey, F Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K Acta Crystallographica Section B 49(3) (1993) 403-413 Space group: F m -3 m Cell volume: 134.9 Cell parameters: 5.1291; 5.1291; 5.1291; 90; 90; 90; |
| COD ID: 9011278 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 160.596 Cell parameters: 7.189; 4.407; 5.069; 90; 89.96; 90; |
| COD ID: 9011279 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 160.596 Cell parameters: 7.189; 4.407; 5.069; 90; 89.96; 90; |
| COD ID: 9011280 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 159.237 Cell parameters: 7.171; 4.385; 5.064; 90; 90.04; 90; |
| COD ID: 9011281 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 158.573 Cell parameters: 7.164; 4.371; 5.064; 90; 90; 90; |
| COD ID: 9011282 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 154.879 Cell parameters: 7.129; 4.314; 5.036; 90; 90.15; 90; |
| COD ID: 9011283 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 154.032 Cell parameters: 7.11; 4.29; 5.05; 90; 90.3; 90; |
| COD ID: 9011284 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 153.033 Cell parameters: 7.1; 4.286; 5.029; 90; 90.3; 90; |
| COD ID: 9011285 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: C 1 2/m 1 Cell volume: 150.711 Cell parameters: 7.1; 4.221; 5.029; 90; 90.4; 90; |
| COD ID: 9011286 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: P -3 m 1 Cell volume: 73.095 Cell parameters: 4.1; 4.1; 5.021; 90; 90; 120; |
| COD ID: 9011287 | |
| CIF file | Formula: - Au Te2 - Comments: Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L. High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa Acta Crystallographica, Section B 49(1) (1993) 6-11 Space group: P -3 m 1 Cell volume: 72.01 Cell parameters: 4.078; 4.078; 5; 90; 90; 120; |
| COD ID: 9011288 | |
| CIF file | Formula: - H12 Ni O10 S - Comments: Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD Acta Crystallographica, Section B 49(2) (1993) 192-201 Space group: P 43 21 2 Cell volume: 834.979 Cell parameters: 6.7778; 6.7778; 18.176; 90; 90; 90; |
| COD ID: 9011289 | |
| CIF file | Formula: - Ni O10 S - Comments: Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J. Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement Acta Crystallographica, Section B 49(2) (1993) 192-201 Space group: P 43 21 2 Cell volume: 834.979 Cell parameters: 6.7778; 6.7778; 18.176; 90; 90; 90; |
| COD ID: 9011290 | |
| CIF file | Formula: - F6 K2 Si - Comments: Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms Acta Crystallographica, Section B 49(6) (1993) 967-973 Space group: F m -3 m Cell volume: 539.731 Cell parameters: 8.1419; 8.1419; 8.1419; 90; 90; 90; |
| COD ID: 9011291 | |
| CIF file | Formula: - F6 K2 Si - Comments: Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms Acta Crystallographica, Section B 49(6) (1993) 967-973 Space group: F m -3 m Cell volume: 539.731 Cell parameters: 8.1419; 8.1419; 8.1419; 90; 90; 90; |
| COD ID: 9011292 | |
| CIF file | Formula: - F6 K2 Si - Comments: Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha Acta Crystallographica, Section B 49(6) (1993) 967-973 Space group: F m -3 m Cell volume: 539.731 Cell parameters: 8.1419; 8.1419; 8.1419; 90; 90; 90; |
| COD ID: 9011293 | |
| CIF file | Formula: - Cl6 K2 Pd - Comments: Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y. Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Acta Crystallographica, Section B 49(6) (1993) 967-973 Space group: F m -3 m Cell volume: 539.731 Cell parameters: 8.1419; 8.1419; 8.1419; 90; 90; 90; |
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