Information card for entry 4308856

Structure parameters

• Formula: C46 H34 O4 P2 S4 W
• Calculated formula: C46 H34 O4 P2 S4 W
• SMILES: [W]([P](c1ccccc1)(c1ccccc1)C=C1SC(=C(S1)C)C)([P](c1ccccc1)(c1ccccc1)C=C1SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O].CCCCCC
• 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: 11.814 ± 0.005 Å
• b: 12.332 ± 0.005 Å
• c: 15.941 ± 0.005 Å
• α: 78.86 ± 0.005°
• β: 85.905 ± 0.005°
• γ: 74.533 ± 0.005°
• Cell volume: 2195.7 ± 1.5 ų
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No