Information card for entry 7118522

Structure parameters

• Formula: C41 H51 B Ge N2 O2
• Calculated formula: C41 H51 B Ge N2 O2
• SMILES: [Ge]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)OB(O)c1c(c2ccccc2)cccc1
• Title of publication: Synthesis of digermylene-stabilized linear tetraboronate and boroxine.
• Authors of publication: Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Zhu, Jun; Zhao, Yufen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1582 - 1585
• a: 13.605 ± 0.006 Å
• b: 14.004 ± 0.006 Å
• c: 19.843 ± 0.011 Å
• α: 90°
• β: 90.69 ± 0.04°
• γ: 90°
• Cell volume: 3780 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No