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CIF Information Card
Information card for 7205804
7205803 << 7205804 >> 7205805Preview
|
Coordinates |
7205804.cif |
Structure parameters
| Formula | - C15 H15 N2 O4 P - |
| Calculated formula | - C15 H15 N2 O4 P - |
| Title of publication | Anion directed supramolecular architecture of pyrazole based ionic salts |
| Authors of publication | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4110 |
| a | 16.115 ± 0.003 Å |
| b | 18.888 ± 0.004 Å |
| c | 4.9329 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1501.5 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 2 |
| Hall symmetry space group | P 2 2ab |
| Residual factor for all reflections | 0.0455 |
| Residual factor for observed reflections | 0.0356 |
| Weighted residual factors for the observed reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for observed reflections | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |