Information card for entry 7123097

Structure parameters

• Formula: C52 H56 Cl3 Ir N2 O3
• Calculated formula: C52 H56 Cl3 Ir N2 O3
• 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: 13.1578 ± 0.0011 Å
• b: 14.0956 ± 0.0012 Å
• c: 15.0289 ± 0.0013 Å
• α: 71.647 ± 0.001°
• β: 85.234 ± 0.001°
• γ: 70.951 ± 0.001°
• Cell volume: 2500.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No