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Information card for entry 4103823
Preview
| Coordinates | 4103823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2,6-disipropylimido)(tris(trimetylphosphine))(hydrido)molybdenum chloride |
|---|---|
| Formula | C21 H45 Cl Mo N P3 |
| Calculated formula | C21 H45 Cl Mo N P3 |
| SMILES | [MoH](Cl)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)=Nc1c(cccc1C(C)C)C(C)C |
| Title of publication | Diversity of Catalysis by an Imido-Hydrido Complex of Molybdenum. Mechanism of Carbonyl Hydrosilylation and Silane Alcoholysis |
| Authors of publication | Erik Peterson; Andrey Y. Khalimon; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I. Nikonov |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 908 - 909 |
| a | 21.8377 ± 0.0008 Å |
| b | 15.3687 ± 0.0006 Å |
| c | 18.347 ± 0.0007 Å |
| α | 90° |
| β | 114.664 ± 0.001° |
| γ | 90° |
| Cell volume | 5595.8 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178784 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103823.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103823.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103823.cif |
| 28298 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103823 via cif-deposit CGI script. |
4103823.cif |
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