Information card for entry 7134122

Structure parameters

• Formula: C9 H13 B3 Br N
• Calculated formula: C9 H13 B3 Br N
• Title of publication: Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B₃H₇.
• Authors of publication: Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 11
• Pages of publication: 2313 - 2316
• a: 7.0276 ± 0.0002 Å
• b: 14.8744 ± 0.0004 Å
• c: 11.0026 ± 0.0003 Å
• α: 90°
• β: 92.063 ± 0.002°
• γ: 90°
• Cell volume: 1149.37 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No