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Information card for entry 4088281
Preview
| Coordinates | 4088281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H72 Ni2 O P4 Si2 |
|---|---|
| Calculated formula | C48 H72 Ni2 O P4 Si2 |
| Title of publication | A Ni0(η2-(Si–H))(η2-H2) Complex That Mediates Facile H Atom Exchange between Two σ-Ligands |
| Authors of publication | Connor, Bridget A.; Rittle, Jonathan; VanderVelde, David; Peters, Jonas C. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 686 |
| a | 23.4925 ± 0.0011 Å |
| b | 11.0111 ± 0.0005 Å |
| c | 19.1787 ± 0.0009 Å |
| α | 90° |
| β | 109.523 ± 0.003° |
| γ | 90° |
| Cell volume | 4675.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0608 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088281.cif |
| 237436 | 2019-11-24 | cif/ Adding structures of 4088280, 4088281 via cif-deposit CGI script. |
4088281.cif |
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Users of the data should acknowledge the original authors of the
structural data.