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Information card for entry 4088672
Preview
| Coordinates | 4088672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CoH(t-BuNC)(CNArMes2)3 |
|---|---|
| Chemical name | 'hydridotetrakis(2,6-dimesitylphenylioscyanide)(tert-butylisocyanide)cobalt' |
| Formula | C171.25 H186.75 Co2 N8.5 O0.25 |
| Calculated formula | C171.25 H186.75 Co2 N8.5 O0.25 |
| Title of publication | A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides |
| Authors of publication | Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 14 |
| Pages of publication | 2309 |
| a | 14.7093 ± 0.0006 Å |
| b | 20.7346 ± 0.0008 Å |
| c | 24.4314 ± 0.0011 Å |
| α | 88.505 ± 0.002° |
| β | 84.345 ± 0.002° |
| γ | 86.695 ± 0.001° |
| Cell volume | 7401.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.115 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237758 (current) | 2019-11-24 | cif/ Adding structures of 4088667, 4088668, 4088669, 4088670, 4088671, 4088672, 4088673, 4088674, 4088675, 4088676, 4088677, 4088678 via cif-deposit CGI script. |
4088672.cif |
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Users of the data should acknowledge the original authors of the
structural data.