Information card for entry 7125134

Structure parameters

• Formula: C22 H24 B10
• Calculated formula: C22 H24 B10
• Title of publication: A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.
• Authors of publication: Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12494 - 12497
• a: 9.52 ± 0.002 Å
• b: 13.825 ± 0.003 Å
• c: 17.646 ± 0.004 Å
• α: 88.713 ± 0.004°
• β: 88.594 ± 0.004°
• γ: 79.932 ± 0.004°
• Cell volume: 2285.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2062
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No