Information card for entry 7701911

Structure parameters

• Formula: C43 H31 F6 Ir N5 P
• Calculated formula: C43 H31 F6 Ir N5 P
• Title of publication: Cyclometalated iridium(iii) complexes induce mitochondria-derived paraptotic cell death and inhibit tumor growth in vivo.
• Authors of publication: He, Liang; Wang, Kang-Nan; Zheng, Yue; Cao, Jian-Jun; Zhang, Ming-Fang; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 6942 - 6953
• a: 12.6047 ± 0.0003 Å
• b: 14.1338 ± 0.0004 Å
• c: 20.6321 ± 0.0006 Å
• α: 90°
• β: 98.5 ± 0.002°
• γ: 90°
• Cell volume: 3635.28 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No