Information card for entry 4077847

Structure parameters

• Formula: C96 H65 Ge5 Ir3 O7
• Calculated formula: C96 H65 Ge5 Ir3 O7
• Title of publication: α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands
• Authors of publication: Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2621
• a: 10.3576 ± 0.0011 Å
• b: 14.9377 ± 0.0016 Å
• c: 29.463 ± 0.003 Å
• α: 86.979 ± 0.002°
• β: 85.865 ± 0.002°
• γ: 80.614 ± 0.002°
• Cell volume: 4481.9 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No