Information card for entry 4072409

Structure parameters

• Formula: C60 H62 B2 Si
• Calculated formula: C60 H62 B2 Si
• SMILES: [Si](c1ccccc1)(c1ccccc1)(c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1)c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1
• Title of publication: Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene
• Authors of publication: Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6446
• a: 13.0386 ± 0.001 Å
• b: 14.1669 ± 0.0011 Å
• c: 14.6777 ± 0.0011 Å
• α: 67.266 ± 0.001°
• β: 87.495 ± 0.001°
• γ: 80.888 ± 0.001°
• Cell volume: 2468.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No