Information card for entry 4069417

Structure parameters

• Common name: JMM01047
• Chemical name: JMM01047
• Formula: C20 H32 Cl2 Ir2
• Calculated formula: C20 H32 Cl2 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[IrH]2345(Cl)[IrH]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)Cl)C)C)C)C
• 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: 7.2699 ± 0.0007 Å
• b: 14.969 ± 0.002 Å
• c: 10.468 ± 0.0013 Å
• α: 90°
• β: 114.2 ± 0.007°
• γ: 90°
• Cell volume: 1039.1 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No