Information card for entry 4328879

Structure parameters

• Formula: C36 H22 F11 Ir N5 P
• Calculated formula: C36 H22 F11 Ir N5 P
• Title of publication: Control of Intramolecular π-π Stacking Interaction in Cationic Iridium Complexes via Fluorination of Pendant Phenyl Rings
• Authors of publication: Lei He; Dongxin Ma; Lian Duan; Yongge Wei; Juan Qiao; Deqiang Zhang; Guifang Dong; Liduo Wang; Yong Qiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4502 - 4510
• a: 18.067 ± 0.003 Å
• b: 18.067 ± 0.003 Å
• c: 43.026 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14044 ± 4 ų
• Cell temperature: 153.2 ± 0.2 K
• Ambient diffraction temperature: 153.2 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No