Information card for entry 7010468

Structure parameters

• Formula: C39 H30 Co Fe O8 P W
• Calculated formula: C39 H30 Co Fe O8 P W
• SMILES: [W]123456([Co]789(C#[O])(C#[O])[C]1(=[C]7([P]([Fe](C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)[CH]8=[C]29C(C)(C)C)c1ccccc1)(C#[O])(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: 11.688 ± 0.006 Å
• b: 17.919 ± 0.009 Å
• c: 17.359 ± 0.009 Å
• α: 90°
• β: 103.54 ± 0.02°
• γ: 90°
• Cell volume: 3535 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No