Information card for entry 4076629

Structure parameters

• Formula: C13 H5 Cl O9 Ru3
• Calculated formula: C13 H5 Cl O9 Ru3
• SMILES: [Ru]12([Ru]34([Ru]5([Cl]1)(C#[O])(C#[O])(C#[O])C[C]35=[C]24C)(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: 9.443 ± 0.002 Å
• b: 9.501 ± 0.002 Å
• c: 10.194 ± 0.002 Å
• α: 77.43 ± 0.03°
• β: 87.03 ± 0.03°
• γ: 86.13 ± 0.03°
• Cell volume: 890 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No