Information card for entry 7238977

Structure parameters

• Formula: C29 H21 B Cl2 F2 Ir N3 O3
• Calculated formula: C29 H21 B Cl2 F2 Ir N3 O3
• Title of publication: Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging
• Authors of publication: Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 23
• Pages of publication: 8766
• a: 12.522 ± 0.003 Å
• b: 22.397 ± 0.005 Å
• c: 9.999 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2804.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No