Information card for entry 1565018

Structure parameters

• Formula: C70 H94 B4 N4 O4 Si2
• Calculated formula: C70 H94 B4 N4 O4 Si2
• SMILES: B1(N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)[Si](=[Si](\B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)B1Oc2c(O1)cccc2)\B1Oc2c(O1)cccc2.C(CCC)CC
• 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: 14.9942 ± 0.001 Å
• b: 11.7473 ± 0.0008 Å
• c: 19.3646 ± 0.0011 Å
• α: 90°
• β: 93.326 ± 0.005°
• γ: 90°
• Cell volume: 3405.2 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.1968
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No