Information card for entry 4326800

Structure parameters

• Formula: C38 H41 Cl2 Mo2 O9 P S W2
• Calculated formula: C38 H41 Cl2 Mo2 O9 P S W2
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])[S]([W](P1[Mo]23456789%10([cH]%11[cH]2[cH]3[cH]4[cH]5%11)[c]21[c]6([cH]7[c]8([cH]9[c]%102C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])[Mo]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]4[cH]35.C(Cl)Cl
• Title of publication: A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond
• Authors of publication: Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10561 - 10563
• a: 11.2072 ± 0.0004 Å
• b: 14.6547 ± 0.0005 Å
• c: 14.7204 ± 0.0005 Å
• α: 102.093 ± 0.002°
• β: 109.525 ± 0.002°
• γ: 105.085 ± 0.002°
• Cell volume: 2080.07 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No