Information card for entry 7712617

Structure parameters

• Formula: C16 H18 B10 N2
• Calculated formula: C16 H18 B10 N2
• Title of publication: Conductance of <i>o</i>-carborane-based wires with different substitution patterns.
• Authors of publication: Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 14.0009 ± 0.0003 Å
• b: 12.7944 ± 0.0002 Å
• c: 10.7411 ± 0.0002 Å
• α: 90°
• β: 97.2876 ± 0.0017°
• γ: 90°
• Cell volume: 1908.54 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No