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Information card for entry 4317354
Preview
| Coordinates | 4317354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H55 Au Mo O3 P2 |
|---|---|
| Calculated formula | C46 H55 Au Mo O3 P2 |
| SMILES | [Mo]123456([Au]([P](c7ccc(cc7)C)(c7ccc(cc7)C)c7ccc(cc7)C)(C1=O)C2=O)([P](=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]6[cH]5[cH]4[cH]31 |
| Title of publication | Chemistry of the Oxophosphinidene Ligand. 2. Reactivity of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) Toward Electrophiles Based on Elements Different from Carbon. |
| Authors of publication | María Alonso; M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 11595 - 11605 |
| a | 10.0166 ± 0.0001 Å |
| b | 26.9633 ± 0.0004 Å |
| c | 17.1911 ± 0.0004 Å |
| α | 90° |
| β | 110.987 ± 0.001° |
| γ | 90° |
| Cell volume | 4334.97 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| 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 |
|---|---|---|---|
| 179253 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73. |
4317354.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317354.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317354.cif |
| 10866 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317354 via cif-deposit CGI script. |
4317354.cif |
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