Information card for entry 7034595

Structure parameters

• Formula: C8 H15 Cl N2 O4
• Calculated formula: C8 H15 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].[N+]1(CCCCC1)(CC#N)C
• Title of publication: Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates.
• Authors of publication: Shi, Ping-Ping; Ye, Qiong; Li, Qiang; Wang, Hui-Ting; Fu, Da-Wei; Zhang, Yi; Xiong, Ren-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8221 - 8231
• a: 7.7088 ± 0.0015 Å
• b: 11.933 ± 0.002 Å
• c: 12.458 ± 0.003 Å
• α: 90°
• β: 94.94 ± 0.03°
• γ: 90°
• Cell volume: 1141.7 ± 0.4 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: 0.0809
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No