Information card for entry 4317638

Structure parameters

• Formula: C29 H24 O5 P2 S W
• Calculated formula: C29 H24 O5 P2 S W
• SMILES: [W]1(C#[O])(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[S](=O)=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: 14.478 ± 0.008 Å
• b: 12.794 ± 0.003 Å
• c: 16.442 ± 0.009 Å
• α: 90°
• β: 116.01 ± 0.02°
• γ: 90°
• Cell volume: 2737 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0474
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No