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Information card for entry 4000097
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| Coordinates | 4000097.cif |
|---|
| Common name | Bis(dibenzoylmethanato)bis(2-methylpyridine)ni |
|---|---|
| Chemical name | Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), stable form |
| Formula | C42 H36 N2 Ni O4 |
| Calculated formula | C42 H36 N2 Ni O4 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| a | 11.302 ± 0.002 Å |
| b | 12.505 ± 0.002 Å |
| c | 13.007 ± 0.002 Å |
| α | 80.78 ± 0.01° |
| β | 76.67 ± 0.01° |
| γ | 86.51 ± 0.01° |
| Cell volume | 1765.1 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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