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Information card for entry 4000121
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| Coordinates | 4000121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with chlorobenzene 1:1 |
|---|---|
| Chemical name | Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with chlorobenzene 1:1 |
| Formula | C58 H45 Cl N2 Ni O4 |
| Calculated formula | C58.03 H45.025 Cl1.005 N2 Ni O4 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 11.318 ± 0.002 Å |
| b | 13.694 ± 0.003 Å |
| c | 16.43 ± 0.003 Å |
| α | 81.43 ± 0.01° |
| β | 70.09 ± 0.01° |
| γ | 75.73 ± 0.01° |
| Cell volume | 2314.5 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.132 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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