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Information card for entry 7006533
Preview
| Coordinates | 7006533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | trans-diphenylmethoxy-nitrosyl-tetrakis(trimethylphosphine)molybdenum(0) |
|---|---|
| Formula | C25 H47 Mo N O2 P4 |
| Calculated formula | C25 H47 Mo N O2 P4 |
| SMILES | [Mo]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(N=O)OC(c1ccccc1)c1ccccc1 |
| Title of publication | Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0). |
| Authors of publication | Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 1 |
| Pages of publication | 73 - 85 |
| a | 10.0261 ± 0.0009 Å |
| b | 16.7255 ± 0.001 Å |
| c | 18.769 ± 0.0018 Å |
| α | 90° |
| β | 94.046 ± 0.011° |
| γ | 90° |
| Cell volume | 3139.6 ± 0.5 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006533.cif |
| 179769 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/65. |
7006533.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006533.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006533.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006533.cif |
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Users of the data should acknowledge the original authors of the
structural data.