Information card for entry 4069415

Structure parameters

• Common name: JMM01175
• Chemical name: JMM01175
• Formula: C96.86 H73.72 B2 Cl3.72 F40 Ir4 O4
• Calculated formula: C96.86 H73.72 B2 Cl3.72 F40 Ir4 O4
• Title of publication: Dinuclear Iridium Complexes Containing Cp* and Carbonyl Ligands: Synthesis, Structure, and Reactivity
• Authors of publication: Meredith, Joseph M.; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3546
• a: 12.3828 ± 0.0006 Å
• b: 14.168 ± 0.0005 Å
• c: 16.8874 ± 0.0008 Å
• α: 104.142 ± 0.0016°
• β: 99.06 ± 0.0015°
• γ: 115.788 ± 0.0019°
• Cell volume: 2466 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No