Information card for entry 7010469

Structure parameters

• Formula: C32 H34 Co O4 P W
• Calculated formula: C32 H34 Co O4 P W
• SMILES: [W]1234567([Co]89%10(C#[O])(C#[O])[C]7(C(C)(C)C)=[CH]9[C]%10(=[C]18P(=[O]2)(c1ccccc1)c1ccccc1)C(C)(C)C)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation
• 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: 2001
• Journal issue: 8
• Pages of publication: 1269
• a: 10.99 ± 0.005 Å
• b: 12.809 ± 0.005 Å
• c: 21.08 ± 0.005 Å
• α: 90°
• β: 102.81 ± 0.04°
• γ: 90°
• Cell volume: 2893.6 ± 1.9 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: 0.0583
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No