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Information card for entry 4131174
Preview
| Coordinates | 4131174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H68 Mo O2 P2 Si2 |
|---|---|
| Calculated formula | C42 H68 Mo O2 P2 Si2 |
| Title of publication | Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation. |
| Authors of publication | Buss, Joshua A.; Agapie, Theodor |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 50 |
| Pages of publication | 16466 - 16477 |
| a | 12.8387 ± 0.0008 Å |
| b | 13.2552 ± 0.0008 Å |
| c | 14.3715 ± 0.0008 Å |
| α | 76.202 ± 0.002° |
| β | 75.565 ± 0.002° |
| γ | 72.413 ± 0.002° |
| Cell volume | 2222.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241451 (current) | 2019-11-25 | cif/ Adding structures of 4131174, 4131175 via cif-deposit CGI script. |
4131174.cif |
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Users of the data should acknowledge the original authors of the
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