Information card for entry 2214528

Structure parameters

• Chemical name: Benzimidazolium perchlorate
• Formula: C7 H7 Cl N2 O4
• Calculated formula: C7 H7 Cl N2 O4
• SMILES: [nH]1c[nH+]c2ccccc12.Cl(=O)(=O)(=O)[O-]
• Title of publication: Benzimidazolium perchlorate
• Authors of publication: Sieroń, Lesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3585 - o3585
• a: 9.9885 ± 0.0002 Å
• b: 9.0509 ± 0.0001 Å
• c: 19.0182 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1719.34 ± 0.05 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes