Information card for entry 2236965

Structure parameters

• Chemical name: 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]- 1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate
• Formula: C36 H69 Cl6 N8 O26.5
• Calculated formula: C36 H68 Cl6 N8 O26.5
• Title of publication: 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate
• Authors of publication: Fusi, Vieri; Formica, Mauro; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3453 - o3454
• a: 19.5601 ± 0.0007 Å
• b: 25.0825 ± 0.0008 Å
• c: 24.2277 ± 0.0009 Å
• α: 90°
• β: 113.695 ± 0.005°
• γ: 90°
• Cell volume: 10884.4 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1144
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes