Information card for entry 2212060

Structure parameters

• Formula: C16 H24 Cl2 N4 O12
• Calculated formula: C16 H24 Cl2 N4 O12
• SMILES: C(c1[nH]c2c([nH+]1)cccc2)Cc1[nH]c2ccccc2[nH+]1.[O-]Cl(=O)(=O)=O.O.O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: 2,2'-(Ethane-1,2-diyl)dibenzimidazolium bis(perchlorate) tetrahydrate
• Authors of publication: Yu, Qiong-Yan; Cai, Yue-Peng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o881 - o882
• a: 7.0898 ± 0.0006 Å
• b: 17.204 ± 0.002 Å
• c: 9.9894 ± 0.0009 Å
• α: 90°
• β: 110.072 ± 0.002°
• γ: 90°
• Cell volume: 1144.43 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.086
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes