Information card for entry 1565015

Structure parameters

• Formula: C64 H82 B3 N5 Si2
• Calculated formula: C64 H82 B3 N5 Si2
• Title of publication: Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene
• Authors of publication: Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.3902 ± 0.0005 Å
• b: 13.4787 ± 0.0005 Å
• c: 18.501 ± 0.0005 Å
• α: 90.572 ± 0.003°
• β: 92.148 ± 0.003°
• γ: 114.215 ± 0.004°
• Cell volume: 3042 ± 0.2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.1071
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No