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Information card for entry 7134648
Preview
| Coordinates | 7134648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DS-Mo1 |
|---|---|
| Chemical name | Mo(CO)3(MeCN)(P2N2) |
| Formula | C29 H39 Mo N3 O3 P2 |
| Calculated formula | C29 H39 Mo N3 O3 P2 |
| Title of publication | Catalytic NH3 Oxidation to N2 by Hydrogen Atom Abstraction using a Low-valent Molybdenum Complex |
| Authors of publication | Benedict, Rory J.; Heiden, Zachariah M.; Stephens, David N.; Arulsamy, Navamoney; Mock, Michael Thomas |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 12.2585 ± 0.0015 Å |
| b | 21.027 ± 0.003 Å |
| c | 11.8947 ± 0.0014 Å |
| α | 90° |
| β | 102.628 ± 0.004° |
| γ | 90° |
| Cell volume | 2991.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299947 (current) | 2025-06-04 | cif/ Adding structures of 7134648, 7134649 via cif-deposit CGI script. |
7134648.cif |
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