Information card for entry 1546136

Structure parameters

• Formula: C40 H34 B10 Cl0 F10 Ir N4 P
• Calculated formula: C40 H34 B10 F10 Ir N4 P
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]4%135([C]37%10%12c1cc2c3cccc[n]3[Ir]34(c5c(c6cccc[n]36)c(cc(c5)F)F)(c3c(c5cccc[n]45)c(cc(c3)F)F)[n]2cc1)c1ccccc1.[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: 10.4515 ± 0.0004 Å
• b: 13.4143 ± 0.0006 Å
• c: 18.7342 ± 0.0008 Å
• α: 96.628 ± 0.002°
• β: 97.799 ± 0.001°
• γ: 105.863 ± 0.001°
• Cell volume: 2470.87 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No