Information card for entry 7123098

Structure parameters

• Formula: C28 H34 Cl4 Ir N2 O2
• Calculated formula: C28 H34 Cl4 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: 11.8989 ± 0.0004 Å
• b: 12.7089 ± 0.0004 Å
• c: 23.2281 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.6 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0265
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No