Information card for entry 7241647

Structure parameters

• Formula: C3 H16 B2 N2
• Calculated formula: C3 H16 B2 N2
• SMILES: [BH2]([NH2]C(C)C)[NH2][BH3]
• 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: 21.6 ± 0.002 Å
• b: 9.1048 ± 0.0008 Å
• c: 7.4175 ± 0.0006 Å
• α: 90°
• β: 103.733 ± 0.003°
• γ: 90°
• Cell volume: 1417.1 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No