Information card for entry 4073861

Structure parameters

• Formula: C102 H58 B2 F40 Mo2 O9 P2
• Calculated formula: C90 H34 B2 F40 Mo2 O6 P2
• Title of publication: One-Electron Oxidations of the Methyldiphenylphosphonium Cyclopentadienylide Complexes M(η5-C5H4PMePh2)(CO)3(M = Cr, Mo, W): Formation and Dimerization of the 17-Electron, Metal-Centered Radicals [M(η5-C5H4PMePh2)(CO)3]+
• Authors of publication: Brownie, John H.; Baird, Michael C.; Laws, Derek R.; Geiger, William E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5890
• a: 13.0003 ± 0.0018 Å
• b: 10.0517 ± 0.0014 Å
• c: 38.132 ± 0.005 Å
• α: 90°
• β: 92.466 ± 0.002°
• γ: 90°
• Cell volume: 4978.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No