Information card for entry 2008290

Structure parameters

• Chemical name: μ-oxobis[(trimethylphosphine-P)(trimethylphosphine oxide-O)dichloro- oxomolybdenum(V)] diethylether semisolvate
• Formula: C14 H41 Cl4 Mo2 O5.5 P4
• Calculated formula: C14 H41 Cl4 Mo2 O5.5 P4
• SMILES: [Mo]([P](C)(C)C)(Cl)(Cl)(=O)([O]=P(C)(C)C)O[Mo]([P](C)(C)C)(Cl)(Cl)(=O)[O]=P(C)(C)C.O(CC)CC
• Title of publication: μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate
• Authors of publication: Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: IUC9900018
• a: 19.263 ± 0.002 Å
• b: 11.285 ± 0.002 Å
• c: 30.361 ± 0.005 Å
• α: 90°
• β: 104.96 ± 0.01°
• γ: 90°
• Cell volume: 6376.3 ± 1.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.117
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No