Information card for entry 1546139

Structure parameters

• Formula: C34 H29 B10 F10 Ir N4 O0 P
• Calculated formula: C34 H29 B10 F10 Ir N4 P
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%1458[BH]527[BH]2%12%14[BH]78%13[BH]%129%11[BH]16%10[CH]48%12[C]3527c1c[n]2c(cc1)c1cccc[n]1[Ir]132(c2c(c(cc(c2)F)F)c2cccc[n]12)c1cc(cc(c1c1cccc[n]31)F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity
• Authors of publication: Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 19.439 ± 0.004 Å
• b: 11.727 ± 0.003 Å
• c: 19.346 ± 0.004 Å
• α: 90°
• β: 100.293 ± 0.004°
• γ: 90°
• Cell volume: 4339.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No