Information card for entry 1513056

Structure parameters

• Common name: 1-(3-chlorpropyl)piperidinium chloride
• Formula: C7 H3 Cl2 N
• Calculated formula: C7 H3 Cl2 N
• Title of publication: Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study
• Authors of publication: Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2013
• Journal volume: 1036
• Pages of publication: 226
• a: 7.1481 ± 0.0016 Å
• b: 8.076 ± 0.002 Å
• c: 18.627 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1075.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.3033
• Weighted residual factors for all reflections included in the refinement: 0.3182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No