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Information card for entry 4075843
Preview
| Coordinates | 4075843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H20 Cl Ni P |
|---|---|
| Calculated formula | C11 H20 Cl Ni P |
| SMILES | [Ni]1234(Cl)([P](CC)(CC)CC)[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene) |
| Authors of publication | Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 14 |
| Pages of publication | 3442 |
| a | 8.3272 ± 0.0003 Å |
| b | 9.3265 ± 0.0003 Å |
| c | 16.8608 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1309.47 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0184 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.657 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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