Information card for entry 7042619

Structure parameters

• Formula: C19 H27 Cl F6 Ir N4 P
• Calculated formula: C19 H27 Cl F6 Ir N4 P
• Title of publication: Half-Sandwich Iridium N-Heterocyclic Carbene Anticancer Complexes
• Authors of publication: Wang, Chuanlan; Liu, Jinfeng; Tian, Zhenzhen; Tian, Meng; Tian, Laijin; Zhao, Wenqian; Liu, Zhe
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.3001 ± 0.0011 Å
• b: 12.6959 ± 0.001 Å
• c: 13.931 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2352.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No