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Information card for entry 4131045
Preview
| Coordinates | 4131045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | jl072 |
|---|---|
| Formula | C56 H53 Fe Ni O P2 |
| Calculated formula | C56 H53 Fe Ni O P2 |
| Title of publication | Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes. |
| Authors of publication | Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 42 |
| Pages of publication | 14083 - 14091 |
| a | 15.7448 ± 0.0005 Å |
| b | 16.7714 ± 0.0005 Å |
| c | 17.6503 ± 0.0005 Å |
| α | 90° |
| β | 93.892 ± 0.001° |
| γ | 90° |
| Cell volume | 4650 ± 0.2 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241353 (current) | 2019-11-25 | cif/ Adding structures of 4131045 via cif-deposit CGI script. |
4131045.cif |
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Users of the data should acknowledge the original authors of the
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