Information card for entry 2223150

Structure parameters

• Chemical name: 4,11-Diaza-1,8-diazoniacyclotetradecane dichloride hemihydrate
• Formula: C10 H27 Cl2 N4 O0.5
• Calculated formula: C10 H27 Cl2 N4 O0.5
• Title of publication: 4,11-Diaza-1,8-diazoniacyclotetradecane dichloride hemihydrate
• Authors of publication: Kim, Nam-Ho; Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2128
• a: 6.827 ± 0.007 Å
• b: 14.071 ± 0.016 Å
• c: 16.055 ± 0.016 Å
• α: 90°
• β: 97.84 ± 0.03°
• γ: 90°
• Cell volume: 1528 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1924
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes