Information card for entry 4315283

Structure parameters

• Formula: C35 H27 Ir N4 O5
• Calculated formula: C35 H27 Ir N4 O5
• SMILES: [Ir]123([n]4ccc(cc4c4[n]1ccc(c4)C(=O)[O-])C(=O)O)([n]1ccccc1c1c2cccc1)c1ccccc1c1[n]3cccc1.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: 9.2108 ± 0.0018 Å
• b: 14.495 ± 0.003 Å
• c: 21.887 ± 0.004 Å
• α: 90°
• β: 92.52 ± 0.03°
• γ: 90°
• Cell volume: 2919.3 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No