Information card for entry 1546137

Structure parameters

• Formula: C40 H42 B10 Cl4 F10 Ir N4 P
• Calculated formula: C40.001 H42.002 B10 Cl4.002 F10 Ir N4 P
• 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: 10.3413 ± 0.0005 Å
• b: 19.9619 ± 0.0009 Å
• c: 23.794 ± 0.0011 Å
• α: 90°
• β: 94.892 ± 0.001°
• γ: 90°
• Cell volume: 4894 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No