Information card for entry 4076634

Structure parameters

• Formula: C55 H42 Co2 O6 P4
• Calculated formula: C55 H42 Co2 O6 P4
• SMILES: [Co]123([Co]4([P](c5ccccc5)(c5ccccc5)C[P]1(c1ccccc1)c1ccccc1)([C]2(P(=O)(c1ccccc1)c1ccccc1)=[C]34P(=O)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Bis(diphenylphosphino)acetylene as Bifunctional Ligand in Dicobalt Carbonyl Complexes
• Authors of publication: Hong, Fung-E; Chang,; Chang, Ruei-E; Chen, Shu-Chun; Ko, Bao-Tsan
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 961
• a: 12.2123 ± 0.0008 Å
• b: 14.3194 ± 0.0009 Å
• c: 15.9432 ± 0.001 Å
• α: 89.428 ± 0.001°
• β: 73.523 ± 0.001°
• γ: 66.42 ± 0.001°
• Cell volume: 2433.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No