Information card for entry 7036925

Structure parameters

• Formula: C18 H18 Ir2 O4
• Calculated formula: C18 H18 Ir2 O4
• SMILES: [Ir]12345([Ir]6789(C#[O])([c]%10([c]6([c]7([c]618[c]29%10[c]3([c]4([c]56C)C)C)C)C)C)C#[O])(C#[O])C#[O]
• Title of publication: Group 9 bimetallic carbonyl permethylpentalene complexes.
• Authors of publication: Chadwick, F. Mark; Ashley, Andrew E.; Cooper, Robert T.; Bennett, Luke A.; Green, Jennifer C.; O'Hare, Dermot M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20147 - 20153
• a: 12.2542 ± 0.0003 Å
• b: 10.8292 ± 0.0003 Å
• c: 14.3587 ± 0.0003 Å
• α: 90°
• β: 106.913 ± 0.0011°
• γ: 90°
• Cell volume: 1823.03 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0459
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No