Information card for entry 2214116

Structure parameters

• Chemical name: 1,1'-(Propane-1,3-diyl)dipyridinium dibromidodiiodidomercurate(II)
• Formula: C13 H16 Br2.25 Hg I1.75 N2
• Calculated formula: C13 H16 Br2.25 Hg I1.75 N2
• Title of publication: 1,1'-(Propane-1,3-diyl)dipyridinium dibromidodiiodidomercurate(II)
• Authors of publication: Liu, Xiu-Cun; Wang, Min-Can; Niu, Yun-Yin; Zhao, Fu-Kai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1893 - m1893
• a: 8.297 ± 0.002 Å
• b: 15.431 ± 0.004 Å
• c: 15.563 ± 0.004 Å
• α: 90°
• β: 95.984 ± 0.005°
• γ: 90°
• Cell volume: 1981.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1
• 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