Information card for entry 7005929

Structure parameters

• Formula: C61 H54 Cl6 Ir O P3
• Calculated formula: C61 H54 Cl6 Ir O P3
• SMILES: [Ir]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1=C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and characterization of a bimetallic iridium complex with a ten sp2-carbon chain bridge
• Authors of publication: Gong, Lei; Wu, Liqiong; Lin, Yumei; Zhang, Hong; Yang, Fangzu; Wen, Tingbin; Xia, Haiping
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4122
• a: 12.8331 ± 0.0019 Å
• b: 32.704 ± 0.005 Å
• c: 13.692 ± 0.002 Å
• α: 90°
• β: 111.703 ± 0.002°
• γ: 90°
• Cell volume: 5339.1 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No