Information card for entry 2218278

Structure parameters

• Chemical name: 2,2'-(Iminodimethylene)dibenzimidazolium bis(perchlorate) methanol solvate
• Formula: C17 H21 Cl2 N5 O9
• Calculated formula: C17 H21 Cl2 N5 O9
• SMILES: C(c1[nH]c2ccccc2[nH+]1)NCc1[nH]c2c(cccc2)[nH+]1.CO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 2,2'-(Iminodimethylene)dibenzimidazolium bis(perchlorate) methanol solvate
• Authors of publication: Zhou, Chun-Shan; Huang, Xue-Ying; Meng, Xiang-Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o791 - o792
• a: 8.3359 ± 0.0004 Å
• b: 18.0323 ± 0.0008 Å
• c: 14.8532 ± 0.0007 Å
• α: 90°
• β: 102.944 ± 0.001°
• γ: 90°
• Cell volume: 2175.93 ± 0.18 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: 0.0793
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes