Information card for entry 7713459

Structure parameters

• Chemical name: Ir(phpyr-CF3)2tmd
• Formula: C204 H166 F24 Ir4 N8 O9
• Calculated formula: C204 H166 F24 Ir4 N8 O9
• Title of publication: Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties
• Authors of publication: Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.6136 ± 0.0013 Å
• b: 21.0053 ± 0.0016 Å
• c: 24.6615 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8606.2 ± 1.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No