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Information card for entry 4073799
Preview
| Coordinates | 4073799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H37 Mo2 O4 P |
|---|---|
| Calculated formula | C28 H37 Mo2 O4 P |
| SMILES | C1(=O)[Mo]234567(C(=O)[Mo]89%10%11%1217([cH]1[cH]8[cH]9[cH]%10[cH]%121)[CH](=[CH]%11C(=O)OC)[P]6(C1CCCCC1)C1CCCCC1)[cH]1[cH]5[cH]4[cH]3[cH]21 |
| Title of publication | Alkenyl Derivatives of the Unsaturated Dimolybdenum Hydride Complex [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5454 |
| a | 10.128 ± 0.005 Å |
| b | 10.219 ± 0.005 Å |
| c | 14.175 ± 0.008 Å |
| α | 84.4 ± 0.02° |
| β | 72.77 ± 0.02° |
| γ | 77.58 ± 0.02° |
| Cell volume | 1367.6 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1118 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178626 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/37. |
4073799.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073799.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073799.cif |
| 46554 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073799, 4073800, 4073801, 4073802 via cif-deposit CGI script. |
4073799.cif |
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Users of the data should acknowledge the original authors of the
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