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CIF Information Card
Information card for 1100053
1100052 << 1100053 >> 1100054Preview
|
Coordinates |
1100053.cif |
Structure parameters
| Formula | - Ba5 Cl2.5 Mo N4 O0.75 - |
| Calculated formula | - Ba5 Cl2.5 Mo N4 O0.75 - |
| a | 10.8277 ± 0.0014 Å |
| b | 11.8401 ± 0.0015 Å |
| c | 10.3631 ± 0.0014 Å |
| α | 90° |
| β | 111.96 ± 0.003° |
| γ | 90° |
| Cell volume | 1232.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/m 1 |
| Hall symmetry space group | -C 2y |
| Residual factor for all reflections | 0.0474 |
| Residual factor for observed reflections | 0.0413 |
| Weighted residual factors for the observed reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| 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 |