Information card for entry 4076627

Structure parameters

• Formula: C21 H10 Co O13
• Calculated formula: C20 H10 Co4 O13
• SMILES: [Co]12([Co]3([C]1(=[C]23COC[C]12[Co]3([Co]1([C]=23C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(μ-Cl)(CO)10]-
• Authors of publication: Soleilhavoup, Michèle; Saccavini, Catherine; Lepetit, Christine; Lavigne, Guy; Maurette, Luc; Donnadieu, Bruno; Chauvin, Remi
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 871
• a: 7.515 ± 0.002 Å
• b: 10.637 ± 0.002 Å
• c: 16.18 ± 0.003 Å
• α: 94.56 ± 0.03°
• β: 94.54 ± 0.03°
• γ: 92.04 ± 0.03°
• Cell volume: 1284.1 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No