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Information card for entry 4089177
Preview
| Coordinates | 4089177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H54 B Cl2 F27 Mo N4 O3 S |
|---|---|
| Calculated formula | C70 H54 B Cl2 F27 Mo N4 O3 S |
| Title of publication | Molybdenum Imido Alkylidene Complexes Containing N- and C-Chelating N-Heterocyclic Carbenes |
| Authors of publication | Elser, Iris; Frey, Wolfgang; Wurst, Klaus; Buchmeiser, Michael R. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 24 |
| Pages of publication | 4106 |
| a | 10.0581 ± 0.0006 Å |
| b | 17.0305 ± 0.0008 Å |
| c | 21.8889 ± 0.0012 Å |
| α | 77.026 ± 0.003° |
| β | 86.625 ± 0.004° |
| γ | 80.441 ± 0.003° |
| Cell volume | 3602.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0785 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238020 (current) | 2019-11-24 | cif/ Adding structures of 4089176, 4089177, 4089178 via cif-deposit CGI script. |
4089177.cif |
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Users of the data should acknowledge the original authors of the
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