Information card for entry 7123096

Structure parameters

• Formula: C52.41 H56.41 Cl9.23 Ir N2 O2
• Calculated formula: C52.409 H56.409 Cl9.227 Ir N2 O2
• Title of publication: Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity
• Authors of publication: Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 24.7754 ± 0.0014 Å
• b: 14.496 ± 0.0008 Å
• c: 16.5663 ± 0.0009 Å
• α: 90°
• β: 98.226 ± 0.002°
• γ: 90°
• Cell volume: 5888.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0493
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No