Information card for entry 2214117

Structure parameters

• Chemical name: 1,1'-(Butane-1,4-diyl)dipyridinium bromidotrichloridomercurate(II)
• Formula: C14 H18 Br Cl3 Hg N2
• Calculated formula: C14 H18 Br Cl3 Hg N2
• Title of publication: 1,1'-(Butane-1,4-diyl)dipyridinium bromidotrichloridomercurate(II)
• Authors of publication: Niu, Yun-Yin; Liu, Xiu-Cun; Hou, Hong-Wei; Fan, Yao-Ting; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1894 - m1894
• a: 15.9912 ± 0.0008 Å
• b: 8.7769 ± 0.0005 Å
• c: 14.3189 ± 0.0009 Å
• α: 90°
• β: 109.76 ± 0.001°
• γ: 90°
• Cell volume: 1891.37 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes