Information card for entry 2208163

Structure parameters

• Chemical name: 3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)
• Formula: C10 H18 Cl6 N2 O6
• Calculated formula: C10 H18 Cl6 N2 O6
• SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].C(COCCOCC[NH3+])[NH3+].C(=O)(C(Cl)(Cl)Cl)[O-]
• Title of publication: 3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)
• Authors of publication: Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o739 - o741
• a: 22.1995 ± 0.0019 Å
• b: 7.5606 ± 0.001 Å
• c: 11.932 ± 0.0012 Å
• α: 90°
• β: 91.188 ± 0.007°
• γ: 90°
• Cell volume: 2002.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0963
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes