Information card for entry 7708631

Structure parameters

• Formula: C38 H39 Cl Ir N2 O
• Calculated formula: C38 H39 Cl Ir N2 O
• Title of publication: Preparation and antitumor application of N-phenylcarbazole/triphenylamine-modified fluorescent half-sandwich iridium(iii) Schiff base complexes
• Authors of publication: Wang, Liyan; Huang, Chenyang; Hu, Fenglian; Cui, Wen; Li, Yiqing; Li, Jingwen; Zong, Jiawen; Liu, Xicheng; Yuan, Xiang-Ai; Liu, Zhe
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.4918 ± 0.0014 Å
• b: 10.0684 ± 0.0008 Å
• c: 21.121 ± 0.0017 Å
• α: 90°
• β: 109.031 ± 0.002°
• γ: 90°
• Cell volume: 3315.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No