Information card for entry 4076636

Structure parameters

• Formula: C64 H54 Cl2 Co2 Mo O9 P4
• Calculated formula: C64 H54 Cl2 Co2 Mo O9 P4
• SMILES: [Co]123([Co]4([P](c5ccccc5)(c5ccccc5)C[P]1(c1ccccc1)c1ccccc1)([C]12[P]([Mo]([P]([C]34=1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl.O(CC)CC
• 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: 11.7356 ± 0.0007 Å
• b: 23.6043 ± 0.0014 Å
• c: 21.9072 ± 0.0012 Å
• α: 90°
• β: 90.915 ± 0.001°
• γ: 90°
• Cell volume: 6067.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No