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Information card for entry 4104813
Preview
| Coordinates | 4104813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | holkd15 |
|---|---|
| Chemical name | (diketiminate)cobalt(II) hydride dimer |
| Formula | C77 H116 Co2 N4 |
| Calculated formula | C77 H116 Co2 N4 |
| Title of publication | Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen |
| Authors of publication | Keying Ding; William W. Brennessel; Patrick L. Holland |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 10804 - 10805 |
| a | 13.283 ± 0.004 Å |
| b | 24.629 ± 0.008 Å |
| c | 32.79 ± 0.01 Å |
| α | 80.537 ± 0.005° |
| β | 83.396 ± 0.004° |
| γ | 80.793 ± 0.005° |
| Cell volume | 10401 ± 6 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1656 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4104813.cif |
| 178794 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/48. |
4104813.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104813.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104813.cif |
| 29843 | 2011-11-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4104813 via cif-deposit CGI script. |
4104813.cif |
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Users of the data should acknowledge the original authors of the
structural data.