Information card for entry 4066802

Structure parameters

• Formula: C78 H68 Cl4 Ge5 Ir2 O6
• Calculated formula: C78 H68 Cl4 Ge5 Ir2 O6
• SMILES: [Ir]1([Ge](c2ccccc2)(c2ccccc2)[IrH]([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)([Ge]([OH][Ge]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl.O
• Title of publication: Iridium−Germanium and −Tin Carbonyl Complexes
• Authors of publication: Adams, Richard D.; Trufan, Eszter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4346
• a: 14.237 ± 0.0012 Å
• b: 14.3558 ± 0.0012 Å
• c: 20.2408 ± 0.0017 Å
• α: 106.007 ± 0.002°
• β: 91.639 ± 0.002°
• γ: 106.752 ± 0.002°
• Cell volume: 3781.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No