Information card for entry 7230166

Structure parameters

• Formula: C69 H47 B F24 Ir N O
• Calculated formula: C69 H47 B F24 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: 14.5879 ± 0.0015 Å
• b: 15.7035 ± 0.0016 Å
• c: 17.2298 ± 0.0017 Å
• α: 107.147 ± 0.002°
• β: 105.89 ± 0.002°
• γ: 109.408 ± 0.002°
• Cell volume: 3240.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No