Information card for entry 4073036

Structure parameters

• Formula: C46 H33 Co O2 P2
• Calculated formula: C46 H33 Co O2 P2
• SMILES: [CoH]1([P](c2ccc3ccccc3c2c2c3ccccc3ccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Pendant Alkenes Promote Cobalt−Cobalt Bond Cleavage in (Alkyne)(binap)tetracarbonyldicobalt(0) Complexes
• Authors of publication: Gibson, Susan E.; Kaufmann, Karina A. C.; Haycock, Peter R.; White, Andrew J. P.; Hardick, David J.; Tozer, Matthew J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1578
• a: 15.0501 ± 0.0007 Å
• b: 14.7142 ± 0.0007 Å
• c: 17.0825 ± 0.0008 Å
• α: 90°
• β: 110.517 ± 0.004°
• γ: 90°
• Cell volume: 3543 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.2435
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No