Information card for entry 7118521

Structure parameters

• Formula: C67 H95 B3 Ge2 N4 O5
• Calculated formula: C67 H95 B3 Ge2 N4 O5
• SMILES: [Ge]1(OB2OB(OB(O2)c2c(cc(cc2C)C)C)O[Ge]2[N](=C(CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(C)CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 13.192 ± 0.008 Å
• b: 24.045 Å
• c: 13.298 Å
• α: 90°
• β: 93.46 ± 0.02°
• γ: 90°
• Cell volume: 4210 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No