Information card for entry 8103129

Structure parameters

• Chemical name: 2'2-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate
• Formula: C18 H34 N4 O11 S
• Calculated formula: C18 H34 N4 O11 S
• Title of publication: Crystal structure of 2,2'-(1,4-butanediyl)bis(3H-benzimidazolium) sulfate heptahydrate, [C18H20N4][SO4] · 7H2O
• Authors of publication: Wei-Xing Zhao; Hong-Bo Jiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 335
• a: 11.168 ± 0.004 Å
• b: 13.022 ± 0.004 Å
• c: 17.743 ± 0.006 Å
• α: 90°
• β: 100.899 ± 0.004°
• γ: 90°
• Cell volume: 2533.8 ± 1.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No