Information card for entry 7058010

Structure parameters

• Formula: C64 H96 B2 N4 Si4
• Calculated formula: C64 H96 B2 N4 Si4
• Title of publication: Synthesis, characterization and photophysical studies of a novel polycyclic diborane
• Authors of publication: Yao, Chang-Jiang; Zhao, Kexiang; Long, Guankui; Li, Xinxiong; Gong, Zhong-Liang; Zhong, Yu-Wu; Gao, Weibo; Li, Yongxin; Ganguly, Rakesh; Li, Gang; Zhang, Qichun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 564
• a: 14.598 ± 0.002 Å
• b: 14.93 ± 0.002 Å
• c: 31.428 ± 0.005 Å
• α: 81.09 ± 0.005°
• β: 82.566 ± 0.005°
• γ: 89.76 ± 0.005°
• Cell volume: 6709.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.3441
• Weighted residual factors for all reflections included in the refinement: 0.3736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No