Information card for entry 7027772

Structure parameters

• Formula: C38 H36 Co Mo O8 P S
• Calculated formula: C38 H36 Co Mo O8 P S
• SMILES: [Mo]123456([Co]7([P](Sc8ccccc8)(c8ccccc8)c8ccccc8)(C#[O])(C#[O])[C]1(C(=O)OC)=[C]27C(=O)OC)(C#[O])(C#[O])[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: The formation and transformation of metallacycles containing phosphorus or sulfur on molybdenum‒ or tungsten‒cobalt mixed-metal backbones ‡
• Authors of publication: King, Jason D.; Mays, Martin J.; Pateman, Giles E.; Raithby, Paul R.; Rennie, Moira A.; Solan, Gregory A.; Choi, Nick; Conole, Gráinne; McPartlin, Mary
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4447
• a: 9.517 ± 0.002 Å
• b: 9.699 ± 0.002 Å
• c: 40.567 ± 0.008 Å
• α: 90°
• β: 91.39 ± 0.03°
• γ: 90°
• Cell volume: 3743.5 ± 1.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• 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: 0.1603
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.5203
• Weighted residual factors for significantly intense reflections: 0.0814
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No