Information card for entry 4066801

Structure parameters

• Formula: C64 H52 Ge4 Ir2 O4
• Calculated formula: C64 H52 Ge4 Ir2 O4
• SMILES: C([IrH]1([Ge](c2ccccc2)(c2ccccc2)[IrH](C#[O])(C#[O])([Ge]1(c1ccccc1)c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])#[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: 9.9572 ± 0.0009 Å
• b: 11.2423 ± 0.001 Å
• c: 13.4482 ± 0.0012 Å
• α: 76.579 ± 0.002°
• β: 74.859 ± 0.002°
• γ: 87.433 ± 0.002°
• Cell volume: 1413.3 ± 0.2 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: 0.0573
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No