Information card for entry 4308665

Structure parameters

• Formula: C48 H35 Ge4 Ir3 O6
• Calculated formula: C48 H35 Ge4 Ir3 O6
• SMILES: [Ir]1234([Ir]56([Ir]1([Ge]5(c1ccccc1)c1ccccc1)([Ge]3(c1ccccc1)c1ccccc1)([Ge]46c1ccccc1)(C#[O])C#[O])([Ge]2(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])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: 11.6076 ± 0.0007 Å
• b: 12.9334 ± 0.0008 Å
• c: 17.352 ± 0.0011 Å
• α: 98.003 ± 0.001°
• β: 93.926 ± 0.001°
• γ: 114.303 ± 0.001°
• Cell volume: 2328.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No