Information card for entry 7713457

Structure parameters

• Chemical name: Ir(phpyr-F)2tmd
• Formula: C49.5 H43 F2 Ir N2 O2.5
• Calculated formula: C49 H41 F2 Ir N2 O2
• 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: 14.7888 ± 0.0019 Å
• b: 18.451 ± 0.002 Å
• c: 18.85 ± 0.002 Å
• α: 104.477 ± 0.002°
• β: 109.897 ± 0.002°
• γ: 102.021 ± 0.002°
• Cell volume: 4433.2 ± 0.9 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0918
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No