Information card for entry 7057717

Structure parameters

• Formula: C31.5 H29 Cl3 F6 Ir N2 O0.5 P
• Calculated formula: C31.5 H29 Cl3 F6 Ir N2 O0.5 P
• Title of publication: Electronic effects on reactivity and anticancer activity by half-sandwich N,N-chelated iridium(iii) complexes
• Authors of publication: Guo, Lihua; Zhang, Hairong; Tian, Meng; Tian, Zhenzhen; Xu, Yanjian; Yang, Yuliang; Peng, Hongwei; Liu, Peng; Liu, Zhe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16183
• a: 10.941 ± 0.0008 Å
• b: 11.1991 ± 0.0009 Å
• c: 14.9659 ± 0.0011 Å
• α: 93.09 ± 0.001°
• β: 109.773 ± 0.002°
• γ: 90.784 ± 0.001°
• Cell volume: 1722.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No