Information card for entry 4087083

Structure parameters

• Formula: C30 H34 Co2 N2 O4 P2
• Calculated formula: C30 H34 Co2 N2 O4 P2
• SMILES: [Co]123([Co]4([C]1(c1ccccc1)=[CH]24)(C#[O])(C#[O])C#[O])(C#[O])[P@](c1c(nc2c(cccc2)n1)[P@]3(C(C)(C)C)C)(C)C(C)(C)C
• Title of publication: Synthesis, Coordination Study, and Catalytic Pauson‒Khand Reactions of QuinoxP*(CO)4-μ-Alkyne Dicobalt Complexes
• Authors of publication: Garçon, Martí; Cabré, Albert; Verdaguer, Xavier; Riera, Antoni
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 9.3127 ± 0.0003 Å
• b: 17.8101 ± 0.0007 Å
• c: 18.574 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3080.69 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No