Information card for entry 7057718

Structure parameters

• Formula: C31 H31 Cl F6 Ir N4 P
• Calculated formula: C31 H31 Cl F6 Ir N4 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: 10.15 ± 0.0009 Å
• b: 13.1501 ± 0.0011 Å
• c: 14.9502 ± 0.0012 Å
• α: 104.382 ± 0.002°
• β: 104.1 ± 0.002°
• γ: 105.659 ± 0.003°
• Cell volume: 1754.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0583
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.696
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No