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CIF Information Card
Information card for 7205805
7205804 << 7205805 >> 7205806Preview
|
Coordinates |
7205805.cif |
Structure parameters
| Formula | - C15 H15 N3 O4 - |
| Calculated formula | - C15 H15 N3 O4 - |
| 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 | 6.253 ± 0.0002 Å |
| b | 14.4187 ± 0.0005 Å |
| c | 15.9581 ± 0.0006 Å |
| α | 90° |
| β | 93.37 ± 0.001° |
| γ | 90° |
| Cell volume | 1436.3 ± 0.09 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0498 |
| Residual factor for observed reflections | 0.0372 |
| Weighted residual factors for the observed reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for observed reflections | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |