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Information card for entry 2243895
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| Coordinates | 2243895.cif |
|---|---|
| Structure factors | 2243895.hkl |
| Original IUCr paper | HTML |
| Common name | CpMo(CO)2(PPh3)(COEt) |
|---|---|
| Chemical name | Dicarbonyl(η^5^-cyclopentadienyl)propionyl(triphenylphosphane-κ<i>P</i>)molybdenum(II) |
| Formula | C28 H25 Mo O3 P |
| Calculated formula | C28 H25 Mo O3 P |
| SMILES | [Mo]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])(C(=O)CC)[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes |
| Authors of publication | Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 9.1719 ± 0.0005 Å |
| b | 11.7493 ± 0.0007 Å |
| c | 12.6049 ± 0.0007 Å |
| α | 113.083 ± 0.002° |
| β | 99.148 ± 0.002° |
| γ | 99.38 ± 0.002° |
| Cell volume | 1195.14 ± 0.12 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0201 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268023 (current) | 2021-08-11 | cif/ hkl/ Adding structures of 2243895, 2243896, 2243897 via cif-deposit CGI script. |
2243895.cif 2243895.hkl |
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Users of the data should acknowledge the original authors of the
structural data.