Information card for entry 7241644

Structure parameters

• Formula: C6 H22 B2 N2
• Calculated formula: C6 H22 B2 N2
• SMILES: [BH2]([N](CC)(CC)CC)[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: 11.479 ± 0.002 Å
• b: 11.37 ± 0.002 Å
• c: 8.0519 ± 0.0013 Å
• α: 90°
• β: 107.516 ± 0.004°
• γ: 90°
• Cell volume: 1002.2 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1589
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No