Information card for entry 4308858

Structure parameters

• Formula: C40 H32 O4 P2 S4 W
• Calculated formula: C40 H32 O4 P2 S4 W
• SMILES: [W]1([P](c2ccccc2)(c2ccccc2)C(=C2SC(=C(S2)C)C)C([P]1(c1ccccc1)c1ccccc1)=C1SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 11.581 ± 0.005 Å
• b: 11.885 ± 0.005 Å
• c: 15.169 ± 0.005 Å
• α: 82.59 ± 0.005°
• β: 88.004 ± 0.005°
• γ: 70.538 ± 0.005°
• Cell volume: 1952.1 ± 1.3 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: 0.1345
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No