Information card for entry 7230167

Structure parameters

• Formula: C30 H27 F Ir N O
• Calculated formula: C30 H27 F Ir N O
• Title of publication: Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products
• Authors of publication: Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 7164
• a: 13.146 ± 0.0004 Å
• b: 14.8634 ± 0.0004 Å
• c: 27.0887 ± 0.0009 Å
• α: 82.995 ± 0.002°
• β: 79.253 ± 0.003°
• γ: 89.665 ± 0.002°
• Cell volume: 5160.5 ± 0.3 ų
• Cell temperature: 157.39 ± 0.15 K
• Ambient diffraction temperature: 157.39 ± 0.15 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: 0.1063
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No