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CIF Information Card
Information card for 1101133
1101132 << 1101133 >> 1101134Preview
|
Coordinates |
1101133.cif |
Structure parameters
| Formula | - C18 H38 N8 Ni O18 - |
| Calculated formula | - C18 H38 N8 Ni O18 - |
| Title of publication | Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion |
| Authors of publication | Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana |
| Journal of publication | Polyhedron |
| Year of publication | 1995 |
| Journal volume | 14 |
| Pages of publication | 611 - 616 |
| a | 8.148 ± 0.003 Å |
| b | 9.104 ± 0.002 Å |
| c | 11.854 ± 0.003 Å |
| α | 105.37 ± 0.01° |
| β | 95.31 ± 0.02° |
| γ | 115.17 ± 0.01° |
| Cell volume | 745.8 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Residual factor for observed reflections | 0.045 |
| Weighted residual factors for the observed reflections | 0.042 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |