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Information card for entry 1564361
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| Coordinates | 1564361.cif |
|---|---|
| Structure factors | 1564361.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate |
|---|---|
| Formula | C28 H35 Br3 N2 Ni O0.5 P |
| Calculated formula | C28 H35 Br3 N2 Ni O0.5 P |
| Title of publication | 1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate |
| Authors of publication | Peppel, Tim; Köckerling, Martin |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | x210818 |
| a | 9.9571 ± 0.0004 Å |
| b | 14.4731 ± 0.0006 Å |
| c | 21.473 ± 0.0009 Å |
| α | 90° |
| β | 102.62 ± 0.002° |
| γ | 90° |
| Cell volume | 3019.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268077 (current) | 2021-08-14 | cif/ hkl/ Adding structures of 1564361 via cif-deposit CGI script. |
1564361.cif 1564361.hkl |
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