Information card for entry 1543949

Structure parameters

• Formula: C34 H27.5 F3 Ir N4 O2 P0.5
• Calculated formula: C34 H27.5 F3 Ir N4 O2 P0.5
• Title of publication: Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes
• Authors of publication: Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 631
• a: 39.1832 ± 0.0011 Å
• b: 9.6185 ± 0.0002 Å
• c: 19.2745 ± 0.0005 Å
• α: 90°
• β: 109.894 ± 0.002°
• γ: 90°
• Cell volume: 6830.7 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No