Information card for entry 2005735

Structure parameters

• Chemical name: 6-ammonio-1H^+^-1,4,8,11-tetraazacyclotridecane-5,7-dione dichloride methanol solvate
• Formula: C10 H25 Cl2 N5 O3
• Calculated formula: C10 H25 Cl2 N5 O3
• Title of publication: 6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative
• Authors of publication: Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3100 - 3102
• a: 9.0659 ± 0.0009 Å
• b: 10.0897 ± 0.001 Å
• c: 10.4858 ± 0.001 Å
• α: 109.35 ± 0.011°
• β: 108.26 ± 0.011°
• γ: 97.64 ± 0.01°
• Cell volume: 828.86 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 1.753
• Goodness-of-fit parameter for significantly intense reflections: 1.753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No