Information card for entry 4081444

Structure parameters

• Formula: C21 H28 Ir O9 P Ru2
• Calculated formula: C21 H28 Ir O9 P Ru2
• SMILES: [Ir]123([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])([H]2)(C3=O)(C#[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: 8.7946 ± 0.0002 Å
• b: 11.6347 ± 0.0003 Å
• c: 14.5421 ± 0.0004 Å
• α: 88.916 ± 0.001°
• β: 87.306 ± 0.001°
• γ: 69.431 ± 0.001°
• Cell volume: 1391.58 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0196
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0426
• 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