Information card for entry 4065333

Structure parameters

• Formula: C36 H20 Ir5 O12 P
• Calculated formula: C36 H20 Ir5 O12 P
• SMILES: [Ir]1234([Ir]56([Ir]781([Ir]25([Ir]67(C8=O)(c1ccccc1)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])C#[O])(C3=O)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings
• Authors of publication: Adams, Richard D.; Chen, Mingwei
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5867
• a: 18.5348 ± 0.0004 Å
• b: 13.0734 ± 0.0003 Å
• c: 15.9317 ± 0.0004 Å
• α: 90°
• β: 103.922 ± 0.001°
• γ: 90°
• Cell volume: 3747.05 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No