Information card for entry 7116262

Structure parameters

• Common name: (Dipropylammonium)(ClO4)
• Formula: C6 H16 Cl N O4
• Calculated formula: C6 H16 Cl N O4.008
• Title of publication: A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.
• Authors of publication: Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2298 - 2300
• a: 7.4714 ± 0.0008 Å
• b: 16.0278 ± 0.0018 Å
• c: 8.4874 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1016.37 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.3618
• Weighted residual factors for all reflections included in the refinement: 0.364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No