Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7205808
7205807 << 7205808 >> 7205809Preview
|
Coordinates |
7205808.cif |
Structure parameters
| Formula | - C16 H19 Cl N2 O6 - |
| Calculated formula | - C16 H19 Cl N2 O6 - |
| 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 | 18.4041 ± 0.0017 Å |
| b | 8.4011 ± 0.0007 Å |
| c | 22.587 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3492.3 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1002 |
| Residual factor for observed reflections | 0.0727 |
| Weighted residual factors for the observed reflections | 0.2103 |
| Weighted residual factors for all reflections included in the refinement | 0.2369 |
| Goodness-of-fit parameter for observed reflections | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |