Information card for entry 4076635

Structure parameters

• Formula: C62 H42 Co2 O5 P4 Se
• Calculated formula: C62 H42 Co2 O5 P4 Se
• SMILES: [Co]123([Co]4([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]2(P(=O)(c1ccccc1)c1ccccc1)=[C]34P(=[Se])(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].Cc1ccccc1
• 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: 12.802 ± 0.002 Å
• b: 14.786 ± 0.003 Å
• c: 15.657 ± 0.003 Å
• α: 106.216 ± 0.004°
• β: 94.134 ± 0.005°
• γ: 99.192 ± 0.004°
• Cell volume: 2787.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3177
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No