Information card for entry 1546141

Structure parameters

• Formula: C35 H32 B10 F10 Ir N4 P
• Calculated formula: C35 H32 B10 F10 Ir N4 P
• SMILES: [BH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%155([BH]5%16%12[BH]%12%10%14[BH]29%11[C]35%12(c2c[n]3c(cc2)c2cccc[n]2[Ir]253(c3c(c9cccc[n]29)c(cc(c3)F)F)c2cc(cc(c2c2cccc[n]52)F)F)[C]47%15%16C)[BH]681%13.[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: 19.3966 ± 0.0013 Å
• b: 11.8557 ± 0.0008 Å
• c: 19.0311 ± 0.0013 Å
• α: 90°
• β: 99.693 ± 0.001°
• γ: 90°
• Cell volume: 4313.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No