Information card for entry 8105938

Structure parameters

• Formula: C8 H24 Cl2 N8 O3
• Calculated formula: C8 H24 Cl2 N8 O3
• Title of publication: Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride trihydrate, C8H18N8Cl2 ⋅ 3 H2O
• Authors of publication: Hao, Zhi Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1067 - 1068
• a: 17.3812 ± 0.0011 Å
• b: 7.3688 ± 0.0005 Å
• c: 14.0744 ± 0.0009 Å
• α: 90°
• β: 107.915 ± 0.003°
• γ: 90°
• Cell volume: 1715.2 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No