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Information card for entry 4065764
Preview
| Coordinates | 4065764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H35 Mo2 O2 P Se3 |
|---|---|
| Calculated formula | C25 H35 Mo2 O2 P Se3 |
| SMILES | C12(C(=O)[Se]3[Mo]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[Mo]145623([cH]2[cH]6[cH]5[cH]4[cH]12)([P]8(C1CCCCC1)C1CCCCC1)[Se][Se]9)OC |
| Title of publication | Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 6. C−E Bond Formation and C−O Bond Cleavage Processes in the Reactions of [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)] with Severalp-Block Elements (E) and Their Hydride Derivatives |
| Authors of publication | Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2157 |
| a | 23.367 ± 0.002 Å |
| b | 23.367 ± 0.002 Å |
| c | 9.183 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4342.3 ± 1.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178550 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/57. |
4065764.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065764.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065764.cif |
| 33681 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065763, 4065764 via cif-deposit CGI script. |
4065764.cif |
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