Information card for entry 4066803

Structure parameters

• Formula: C52 H44 Ge4 Ir2 O4
• Calculated formula: C52 H44 Ge4 Ir2 O4
• SMILES: C([IrH]1(C#[O])([GeH](c2ccccc2)c2ccccc2)[Ge](c2ccccc2)(c2ccccc2)[IrH](C#[O])(C#[O])([GeH](c2ccccc2)c2ccccc2)[Ge]1(c1ccccc1)c1ccccc1)#[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: 10.3589 ± 0.0007 Å
• b: 20.6075 ± 0.0014 Å
• c: 12.0951 ± 0.0008 Å
• α: 90°
• β: 102.47 ± 0.002°
• γ: 90°
• Cell volume: 2521 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No