Information card for entry 7241641

Structure parameters

• Formula: C H12 B2 N2
• Calculated formula: C H12 B2 N2
• SMILES: [BH3][NH2][BH2][NH2]C
• Title of publication: Syntheses, formation mechanisms and structures of a series of linear diborazanes
• Authors of publication: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 404 - 410
• a: 4.9595 ± 0.0015 Å
• b: 7.185 ± 0.003 Å
• c: 7.507 ± 0.003 Å
• α: 90°
• β: 91.847 ± 0.01°
• γ: 90°
• Cell volume: 267.37 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No