Information card for entry 4081445

Structure parameters

• Formula: C35 H55 Ir O11 P2 Ru3
• Calculated formula: C35 H55 Ir O11 P2 Ru3
• SMILES: [Ru]1234([Ru]56([Ru]1([Ir]5([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])([C]36=[O]4)C#[O])([H]2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes
• Authors of publication: Adams, Richard D.; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5171
• a: 10.9111 ± 0.001 Å
• b: 14.2152 ± 0.0013 Å
• c: 16.7887 ± 0.0016 Å
• α: 67.474 ± 0.002°
• β: 72.862 ± 0.002°
• γ: 73.707 ± 0.002°
• Cell volume: 2256.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No