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Information card for entry 7134649
Preview
| Coordinates | 7134649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DS-Mo-1 |
|---|---|
| Chemical name | Mo(CO)3(NH3)(P2N2) |
| Formula | C33 H44 F Mo N3 O3 P2 |
| Calculated formula | C33 H44 F 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 | 14.868 ± 0.002 Å |
| b | 13.21 ± 0.002 Å |
| c | 18.026 ± 0.003 Å |
| α | 90° |
| β | 108.924 ± 0.004° |
| γ | 90° |
| Cell volume | 3349.1 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
7134649.cif |
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