Information card for entry 7009944

Structure parameters

• Formula: C32 H34 Co Mo O4 P
• Calculated formula: C32 H34 Co Mo O4 P
• SMILES: [Mo]1234567([Co]89%10(C#[O])(C#[O])[C]1(C(C)(C)C)=[CH]9[C]%10(C(C)(C)C)=[C]38P(=[O]2)(c1ccccc1)c1ccccc1)(C#[O])[cH]1[cH]5[cH]6[cH]7[cH]41
• Title of publication: Synthesis of three-membered metallaphosphaheterocycles and their ring opening with Ph2PH on mixed-metal molybdenum‒cobalt centres †
• Authors of publication: Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3331
• a: 10.989 ± 0.004 Å
• b: 12.81 ± 0.007 Å
• c: 21.045 ± 0.003 Å
• α: 90°
• β: 102.8 ± 0.02°
• γ: 90°
• Cell volume: 2889 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No