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Information card for entry 4308855
Preview
| Coordinates | 4308855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40.5 H34 Mo O4.5 P2 S4 |
|---|---|
| Calculated formula | C40.5 H34 Mo O4.5 P2 S4 |
| SMILES | [Mo]1([P](C2=C(SC(=C(S2)C)C)C([P]1(c1ccccc1)c1ccccc1)=C1SC(=C(S1)C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].CO |
| Title of publication | Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment |
| Authors of publication | Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3347 - 3355 |
| a | 12.361 ± 0.005 Å |
| b | 17.884 ± 0.005 Å |
| c | 19.837 ± 0.005 Å |
| α | 108.153 ± 0.005° |
| β | 97.856 ± 0.005° |
| γ | 100.075 ± 0.005° |
| Cell volume | 4016 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1233 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308855.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308855.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308855.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308855.cif |
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Users of the data should acknowledge the original authors of the
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