Information card for entry 4317639

Structure parameters

• Common name: mer-[Mo(dppe)(CO)3(SO2)]
• Formula: C29 H24 Mo O5 P2 S
• Calculated formula: C29 H24 Mo O5 P2 S
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])([P](CC[P]1(c1ccccc1)c1ccccc1)(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: 14.511 ± 0.005 Å
• b: 12.797 ± 0.002 Å
• c: 16.476 ± 0.006 Å
• α: 90°
• β: 115.92 ± 0.02°
• γ: 90°
• Cell volume: 2751.8 ± 1.5 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: 0.0444
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No