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Information card for entry 4000119
Preview
| Coordinates | 4000119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with benzene 1:1 |
|---|---|
| Chemical name | Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with benzene 1:1 |
| Formula | C58 H46 N2 Ni O4 |
| Calculated formula | C58 H46 N2 Ni O4 |
| SMILES | c1ccccc1.c1ccc(cc1)C1=CC(=[O][Ni]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([n]1ccc(cc1)c1ccccc1)[n]1ccc(cc1)c1ccccc1)c1ccccc1 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 11.278 ± 0.002 Å |
| b | 13.63 ± 0.002 Å |
| c | 16.378 ± 0.002 Å |
| α | 80.81 ± 0.01° |
| β | 70.94 ± 0.01° |
| γ | 74.38 ± 0.01° |
| Cell volume | 2284.6 ± 0.6 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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