Information card for entry 2231575

Structure parameters

• Chemical name: 4,10-Bis(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazoniacyclododecane bis(perchlorate)
• Formula: C20 H30 Cl2 N4 O8 S2
• Calculated formula: C20 H30 Cl2 N4 O8 S2
• Title of publication: 4,10-Bis(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazoniacyclododecane bis(perchlorate)
• Authors of publication: Wei, ZhenHong; You, XiuLi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2384
• a: 10.4491 ± 0.0006 Å
• b: 11.6146 ± 0.0007 Å
• c: 11.7795 ± 0.0007 Å
• α: 96.167 ± 0.001°
• β: 90.34 ± 0.001°
• γ: 113.83 ± 0.001°
• Cell volume: 1298.23 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes