Information card for entry 4081446

Structure parameters

• Formula: C37 H55 Ir O13 P2 Ru4
• Calculated formula: C37 H55 Ir O13 P2 Ru4
• SMILES: [Ir]12345([Ru]6789([Ru]%10%11([Ru]%1216([Ru]27([C]9%10%12=[O]%11)(C#[O])(C#[O])C#[O])([H]38)(C4=O)(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O])(C5=O)(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)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: 9.024 ± 0.0003 Å
• b: 19.1783 ± 0.0006 Å
• c: 27.1206 ± 0.0008 Å
• α: 90°
• β: 94.873 ± 0.001°
• γ: 90°
• Cell volume: 4676.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No