Information card for entry 2017383

Structure parameters

• Chemical name: hexane-1,6-diaminium chloride chloroacetate - chloroacetic acid
• Formula: C10 H23 Cl3 N2 O4
• Calculated formula: C10 H23 Cl3 N2 O4
• Title of publication: Hexane-1,6-diaminium chloride [hydrogen bis(chloroacetate)]
• Authors of publication: Paul, Agnieszka; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o555 - o557
• a: 25.702 ± 0.005 Å
• b: 4.4419 ± 0.0004 Å
• c: 18.718 ± 0.004 Å
• α: 90°
• β: 129.14 ± 0.03°
• γ: 90°
• Cell volume: 1657.4 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.04
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes