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Information card for entry 2243897
Preview
| Coordinates | 2243897.cif |
|---|---|
| Structure factors | 2243897.hkl |
| Original IUCr paper | HTML |
| Common name | CpMo(CO)2(P(4-MeOPh)3)(COEt) |
|---|---|
| Chemical name | Dicarbonyl(η^5^-cyclopentadienyl)propionyl[tris(4-methoxyphenyl)phosphane-κ<i>P</i>]molybdenum(II) dichloromethane solvate |
| Formula | C32 H33 Cl2 Mo O6 P |
| Calculated formula | C32 H33 Cl2 Mo O6 P |
| 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 | 10.5308 ± 0.0006 Å |
| b | 12.1305 ± 0.0007 Å |
| c | 13.6154 ± 0.0008 Å |
| α | 97.66 ± 0.002° |
| β | 104.759 ± 0.002° |
| γ | 107.081 ± 0.002° |
| Cell volume | 1566.43 ± 0.16 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0218 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.0538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2243897.cif 2243897.hkl |
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Users of the data should acknowledge the original authors of the
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