Information card for entry 4317640

Structure parameters

• Common name: [W(dppm)(CO)3(SO2CH2)]
• Formula: C29 H24 O5 P2 S W
• Calculated formula: C29 H24 O5 P2 S W
• SMILES: [W]12([S](=O)(=O)C2)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Molybdenum and Tungsten Complexes of Sulfene (Thioformaldehyde S,S-Dioxide)1
• Authors of publication: Wolfdieter A. Schenk; Katja Nielsen; Nicolai I. Burzlaff; Michael Hagel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1079 - 1085
• a: 11.719 ± 0.002 Å
• b: 17.392 ± 0.004 Å
• c: 13.441 ± 0.003 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 2726.5 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No