Information card for entry 7009450

Structure parameters

• Common name: COMPLEX 9
• Formula: C24 H26 Mo2 O6 P2
• Calculated formula: C24 H26 Mo2 O6 P2
• SMILES: [Mo]12345([PH]([Mo]6789([P]1(OCC)OCC)(C#[O])(C#[O])[cH]1[cH]9[cH]8[cH]7[cH]61)c1ccccc1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: The reactions of the anions [Cp2(CO)4Mo2(μ-PRR')]− (R, R' = H, Ph) towards chloroarsines and chlorophosphines; synthesis of complexes containing both bridging phosphido and arsenido groups
• Authors of publication: Davies, John E.; Feeder, Neil; Gray, Caspar A.; Mays, Martin J.; Woods, Anthony D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1695
• a: 9.7396 ± 0.0005 Å
• b: 17.1917 ± 0.0007 Å
• c: 15.3458 ± 0.0011 Å
• α: 90°
• β: 97.401 ± 0.003°
• γ: 90°
• Cell volume: 2548.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No