Information card for entry 1565016

Structure parameters

• Formula: C67 H95 B3 N4 Si2
• Calculated formula: C67 H95 B3 N4 Si2
• SMILES: [Si]1(=[Si](B1c1c(cc(cc1C(C)C)C(C)C)C(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• 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: 14.0914 ± 0.0005 Å
• b: 24.4943 ± 0.0007 Å
• c: 20.4237 ± 0.0007 Å
• α: 90°
• β: 90.338 ± 0.003°
• γ: 90°
• Cell volume: 7049.3 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.1276
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No