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Information card for entry 2012029
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| Coordinates | 2012029.cif |
|---|---|
| Structure factors | 2012029.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 150 K) |
|---|---|
| Formula | C26 H24 Cl2 Ni P2 |
| Calculated formula | C26 H24 Cl2 Ni P2 |
| SMILES | [Ni]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl |
| Title of publication | A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) |
| Authors of publication | Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 690 - 693 |
| a | 12.4551 ± 0.0014 Å |
| b | 7.9901 ± 0.0008 Å |
| c | 13.035 ± 0.0019 Å |
| α | 90° |
| β | 105.983 ± 0.005° |
| γ | 90° |
| Cell volume | 1247.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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