Information card for entry 2006125

Structure parameters

• Formula: C16 H40 Cl2 N4 O9
• Calculated formula: C16 H40 Cl2 N4 O9
• Title of publication: <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate
• Authors of publication: Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 588 - 590
• a: 11.198 ± 0.002 Å
• b: 8.836 ± 0.006 Å
• c: 25.795 ± 0.007 Å
• α: 90°
• β: 98.34 ± 0.02°
• γ: 90°
• Cell volume: 2525.3 ± 1.9 ų
• Cell temperature: 296 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 significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No