Information card for entry 7114911

Structure parameters

• Formula: C5 H5 Cl N
• Calculated formula: C5 H5 Cl N
• Title of publication: Homologous families of chloride-rich 4,4′-bipyridinium salt structures
• Authors of publication: Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 567
• a: 12.687 ± 0.004 Å
• b: 12.0981 ± 0.0019 Å
• c: 7.0707 ± 0.0017 Å
• α: 90°
• β: 112.565 ± 0.018°
• γ: 90°
• Cell volume: 1002.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No