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CIF Information Card
Information card for 1100767
1100766 << 1100767 >> 1100768Preview
|
Coordinates |
1100767.cif |
Structure parameters
| Formula | - C19 H22 B Cl N6 S2 Zn - |
| Calculated formula | - C19 H22 B Cl N6 S2 Zn - |
| a | 10.103 ± 0.0017 Å |
| b | 23.398 ± 0.004 Å |
| c | 10.1354 ± 0.0017 Å |
| α | 90° |
| β | 103.741 ± 0.003° |
| γ | 90° |
| Cell volume | 2327.3 ± 0.7 Å3 |
| Cell temperature | 499 ± 2 K |
| Ambient diffraction temperature | 499 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0833 |
| Residual factor for observed reflections | 0.0406 |
| Weighted residual factors for the observed reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for observed reflections | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |