Information card for entry 4068085

Structure parameters

• Formula: C25 H17 Ir5 O11
• Calculated formula: C25 H17 Ir5 O11
• SMILES: [Ir]1234([Ir]56([Ir]781([Ir]125([Ir]25967(C8=O)(C1=O)[CH]1=[CH]2CC[CH]5=[CH]9CC1)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C3=O)(C#[O])C#[O])(C#[O])c1ccccc1
• Title of publication: Synthesis of Higher Nuclearity Iridium Clusters: Reaction of [Ir4(CO)11Ph]−with [Ir(COD)Cl]2
• Authors of publication: Adams, Richard D.; Chen, Mingwei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 445
• a: 13.4948 ± 0.0004 Å
• b: 13.5381 ± 0.0004 Å
• c: 16.3963 ± 0.0005 Å
• α: 90°
• β: 103.802 ± 0.001°
• γ: 90°
• Cell volume: 2909.01 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No