Information card for entry 7010466

Structure parameters

• Formula: C34 H26 Co O7 P W
• Calculated formula: C34 H26 Co O7 P W
• SMILES: [W]1234567([Co]8([P]1(c1ccccc1)c1ccccc1)([C](C#Cc1ccccc1)(=[C]38C(=O)OC)C(OC)=[O]2)(C#[O])C#[O])(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 15.501 ± 0.016 Å
• b: 12.623 ± 0.014 Å
• c: 31.39 ± 0.014 Å
• α: 90°
• β: 91.95 ± 0.06°
• γ: 90°
• Cell volume: 6138 ± 10 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: 0.0592
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.1017
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No