Information card for entry 7046921

Structure parameters

• Formula: C39 H33 Cl F12 Ir N7 O2 P2
• Calculated formula: C39 H33 Cl F12 Ir N7 O2 P2
• Title of publication: Cyclometalated Ir(iii) complexes [Ir(tpy)(bbibH₂)Cl][PF₆] and [Ir(tpy)(bmbib)Cl][PF₆]: intramolecular ππ interactions leading to facile synthesis and enhanced luminescence.
• Authors of publication: Qu, Zhong-Ze; Gao, Tai-Bao; Wen, Jing; Rui, Kai; Ma, Haibo; Cao, Deng-Ke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9779 - 9786
• a: 11.5379 ± 0.0007 Å
• b: 13.6588 ± 0.0009 Å
• c: 15.6212 ± 0.001 Å
• α: 86.799 ± 0.001°
• β: 69.201 ± 0.001°
• γ: 69.03 ± 0.001°
• Cell volume: 2141.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No