Information card for entry 4315282

Structure parameters

• Formula: C32 H29 Ir N6 O6
• Calculated formula: C32 H29 Ir N6 O6
• SMILES: [Ir]123([n]4c(cc(cc4)C(=O)O)c4[n]1ccc(c4)C(=O)[O-])([n]1n(ccc1)c1c2cccc1)[n]1n(ccc1)c1c3cccc1.OC.OC
• Title of publication: Zwitterionic Iridium Complexes: Synthesis, Luminescent Properties, and Their Application in Cell Imaging
• Authors of publication: Weili Jiang; Yuan Gao; Yun Sun; Fei Ding; Yan Xu; Zuqiang Bian; Fuyou Li; Jiang Bian; Chunhui Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3252 - 3260
• a: 8.7068 ± 0.0013 Å
• b: 35.482 ± 0.005 Å
• c: 9.8564 ± 0.0015 Å
• α: 90°
• β: 91.918 ± 0.003°
• γ: 90°
• Cell volume: 3043.3 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No