Information card for entry 4087063

Structure parameters

• Formula: C68 H68 Cl2 Ir2 N2 O5
• Calculated formula: C68 H68 Cl2 Ir2 N2 O5
• Title of publication: Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications
• Authors of publication: He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 20.0491 ± 0.0004 Å
• b: 17.2073 ± 0.0004 Å
• c: 8.4156 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2903.31 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No