Information card for entry 7022486

Structure parameters

• Formula: C33 H19 F5 Ir N3
• Calculated formula: C33 H19 F5 Ir N3
• Title of publication: A heteroleptic cyclometalated iridium(III) fluorophenylpyridine complex from partial defluorohydrogenation reaction: synthesis, photophysical properties and mechanistic insights.
• Authors of publication: Li, Liang; Wu, Feng; Zhang, Songlin; Wang, Dawei; Ding, Yuqiang; Zhu, Zhenzhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4539 - 4543
• a: 17.643 ± 0.003 Å
• b: 17.643 ± 0.003 Å
• c: 34.487 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10735 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No