Information card for entry 4308666

Structure parameters

• Formula: C61 H46 Ge4 Ir4 O7
• Calculated formula: C61 H46 Ge4 Ir4 O7
• SMILES: [Ir]1234([H]5)([Ir]67([H]8)([Ir]91([Ir]2578(c1c([Ge]49c2ccccc2)cccc1)(C#[O])C#[O])([Ge]6(c1ccccc1)c1ccccc1)(C#[O])C#[O])([Ge]3(c1ccccc1)c1ccccc1)(C#[O])C#[O])([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: High-Nuclearity Iridium Carbonyl Clusters Containing Phenylgermyl Ligands: Synthesis, Structures, and Reactivity
• Authors of publication: Richard D. Adams; Burjor Captain; Jack L. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1413 - 1420
• a: 10.4442 ± 0.0005 Å
• b: 23.0461 ± 0.0011 Å
• c: 24.1284 ± 0.0012 Å
• α: 90°
• β: 90.504 ± 0.001°
• γ: 90°
• Cell volume: 5807.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No