Information card for entry 7005930

Structure parameters

• Formula: C51 H82 Cl2 Ir O2 P3
• Calculated formula: C51 H82 Cl2 Ir O2 P3
• SMILES: [Ir]1([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(Cl)(Cl)=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C1=C.O(CC)CC
• 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: 21.421 ± 0.004 Å
• b: 14.267 ± 0.003 Å
• c: 18.226 ± 0.003 Å
• α: 90°
• β: 106.765 ± 0.003°
• γ: 90°
• Cell volume: 5333.4 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No