Information card for entry 7009942

Structure parameters

• Formula: C34 H26 Co Mo O7 P
• Calculated formula: C34 H26 Co Mo O7 P
• SMILES: [Mo]1234567([Co]89%10(C#[O])(C#[O])[C]2(C(=O)OC)=[C]8([C]%10(=[C]39[P]1(c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OC)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 15.502 ± 0.002 Å
• b: 21.848 ± 0.003 Å
• c: 10.29 ± 0.001 Å
• α: 91.85 ± 0.01°
• β: 108.33 ± 0.01°
• γ: 71.29 ± 0.01°
• Cell volume: 3124.3 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1596
• Weighted residual factors for significantly intense reflections: 0.1095
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No