Information card for entry 4077696

Structure parameters

• Formula: C36 H30 Co2 N6 O4 P2
• Calculated formula: C36 H30 Co2 N6 O4 P2
• SMILES: [Co]12([Co]3([P](n4cccc4)(n4cccc4)n4cccc4)([CH]1=[C]23c1ccccc1)(C#[O])C#[O])([P](n1cccc1)(n1cccc1)n1cccc1)(C#[O])C#[O]
• Title of publication: Tris(pyrrolyl)phosphine-Substituted Acetylene−Dicobaltcarbonyl Complexes: Syntheses, Structural Characterization, and Reactivity Studies
• Authors of publication: Castro, Jaume; Moyano, Albert; Pericàs, Miquel A.; Riera, Antoni; Maestro, Miguel Angel; Mahía, José
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1704
• a: 9.434 ± 0.002 Å
• b: 13.136 ± 0.004 Å
• c: 16.781 ± 0.005 Å
• α: 100.34 ± 0.03°
• β: 103.86 ± 0.02°
• γ: 108.44 ± 0.02°
• Cell volume: 1840.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No