Information card for entry 7009943

Structure parameters

• Formula: C34 H30 Co Mo O3 P
• Calculated formula: C34 H30 Co Mo O3 P
• SMILES: [Mo]1234567([Co]89%10(C#[O])(C#[O])[C]6([P]1(c1ccccc1)c1ccccc1)=[C]8([CH]9=[C]7%10C(C)(C)C)c1ccccc1)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 10.771 ± 0.019 Å
• b: 28.163 ± 0.012 Å
• c: 11.014 ± 0.012 Å
• α: 90°
• β: 119.27 ± 0.05°
• γ: 90°
• Cell volume: 2914 ± 6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections: 0.2035
• Weighted residual factors for significantly intense reflections: 0.1743
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No