Information card for entry 7000889

Structure parameters

• Formula: C30 H29 Co O P2
• Calculated formula: C30 H29 Co O P2
• SMILES: C1[P]([Co]23([P](c4ccccc4)(C1)c1ccccc1)([CH](=[CH2]2)C3)C#[O])(c1ccccc1)c1ccccc1
• Title of publication: An NMR study of cobalt-catalyzed hydroformylation using para-hydrogen induced polarisation
• Authors of publication: Godard, Cyril; Duckett, Simon B.; Polas, Stacey; Tooze, Robert; Whitwood, Adrian C.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2496 - 2509
• a: 9.4425 ± 0.0007 Å
• b: 9.4559 ± 0.0006 Å
• c: 14.7071 ± 0.001 Å
• α: 93.077 ± 0.002°
• β: 104.88 ± 0.002°
• γ: 101.761 ± 0.002°
• Cell volume: 1234.65 ± 0.15 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No