Information card for entry 7712618

Structure parameters

• Formula: C20 H12 N2
• Calculated formula: C20 H12 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: 8.774 ± 0.006 Å
• b: 9.536 ± 0.006 Å
• c: 18.164 ± 0.012 Å
• α: 90°
• β: 97.18 ± 0.04°
• γ: 90°
• Cell volume: 1507.8 ± 1.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No