Information card for entry 8106720

Structure parameters

• Formula: C14 H28 Cl2 N4 O8
• Calculated formula: C14 H28 Cl2 N4 O8
• Title of publication: Crystal structure of the salt 1,1′-(ethane-1,2-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) diperchlorate, C14H28N4(ClO4)2
• Authors of publication: Wen, Gao-Ju; Gu, Lian-Shuai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 919 - 920
• a: 8.7538 ± 0.0018 Å
• b: 11.393 ± 0.002 Å
• c: 9.942 ± 0.004 Å
• α: 90°
• β: 97.5 ± 0.03°
• γ: 90°
• Cell volume: 983.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No