Information card for entry 4073860

Structure parameters

• Formula: C93 H40 B2 Cl6 Cr2 F40 O6 P2
• Calculated formula: C93 H40 B2 Cl6 Cr2 F40 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: 9.8319 ± 0.0004 Å
• b: 12.8275 ± 0.0006 Å
• c: 19.633 ± 0.0009 Å
• α: 70.935 ± 0.001°
• β: 83.12 ± 0.001°
• γ: 88.67 ± 0.001°
• Cell volume: 2323.09 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No