Information card for entry 7118100

Structure parameters

• Formula: C60 H45 Cl10 Ir2 N14 O8.5
• Calculated formula: C60 H45 Cl10 Ir2 N14 O8.5
• Title of publication: Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media
• Authors of publication: Guangfu Li; Wei Guan; Shuang Du; Dongxia Zhu; Guogang Shan; Xiaojuan Zhu; Likai Yan; Zhongmin Su; Martin R. Bryce; Andrew P. Monkmand
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16924
• a: 11.0662 ± 0.0011 Å
• b: 18.0408 ± 0.0019 Å
• c: 18.1054 ± 0.0018 Å
• α: 78.903 ± 0.002°
• β: 80.228 ± 0.002°
• γ: 75.744 ± 0.002°
• Cell volume: 3409.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No