Information card for entry 8106358

Structure parameters

• Formula: C8 H18 Cl2 N8
• Calculated formula: C8 H18 Cl2 N8
• Title of publication: Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2
• Authors of publication: Gao, Fu Lei; Wang, Ying Lei; Chen, Bing; Liu, Wei Xiao; Liu, Ya Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 949 - 950
• a: 6.5246 ± 0.0003 Å
• b: 7.709 ± 0.0004 Å
• c: 13.9243 ± 0.0006 Å
• α: 90°
• β: 101.24 ± 0.003°
• γ: 90°
• Cell volume: 686.93 ± 0.06 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No