Information card for entry 4068084

Structure parameters

• Formula: C23 H22 Ir4 O7
• Calculated formula: C23 H22 Ir4 O7
• SMILES: [Ir]1234([Ir]5678([Ir]9%101([Ir]1%11%12%132(C9=O)([C]25%10[C]461CC[CH]7=[CH]8CC2)[CH]1=[CH]%11CC[CH]%12=[CH]%13CC1)(C#[O])C#[O])(C3=O)C#[O])(C#[O])C#[O]
• 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: 10.1295 ± 0.0003 Å
• b: 16.7531 ± 0.0005 Å
• c: 14.8948 ± 0.0004 Å
• α: 90°
• β: 104.342 ± 0.001°
• γ: 90°
• Cell volume: 2448.88 ± 0.12 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: 0.0316
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No