Information card for entry 4349914

Structure parameters

• Formula: C36 H39 F6 Ir N7 P
• Calculated formula: C36 H39 F6 Ir N7 P
• Title of publication: Dual-functional cyclometalated iridium imine NHC complexes: highly potent anticancer and antimetastatic agents
• Authors of publication: Tian, Zhenzhen; Yang, Yuliang; Guo, Lihua; Zhong, Genshen; Li, Juanjuan; Liu, Zhe
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 3106
• a: 15.6458 ± 0.0013 Å
• b: 19.5934 ± 0.0017 Å
• c: 23.431 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7182.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No