Information card for entry 7044483

Structure parameters

• Formula: C39 H43 Cl F6 Ir N2 P
• Calculated formula: C39 H43 Cl F6 Ir N2 P
• Title of publication: Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity
• Authors of publication: Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 23.899 ± 0.002 Å
• b: 18.6385 ± 0.0017 Å
• c: 21.6505 ± 0.0019 Å
• α: 90°
• β: 112.431 ± 0.003°
• γ: 90°
• Cell volume: 8914.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.119
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No