Information card for entry 4087062

Structure parameters

• Formula: C48 H36 Cl2 N2 O4 Pd2
• Calculated formula: C48 H36 Cl2 N2 O4 Pd2
• SMILES: c12[Pd]3([N](=C4c2c(ccc1)[C@H]1C[C@@H]4c2c(C1=O)cccc2)c1ccc(OC)cc1)[Cl][Pd]1(c2cccc4c2C([C@@H]2C[C@H]4C(=O)c4c2cccc4)=[N]1c1ccc(OC)cc1)[Cl]3
• 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: 15.0428 ± 0.0003 Å
• b: 19.654 ± 0.0004 Å
• c: 15.1897 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4490.85 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No