Information card for entry 2006018

Structure parameters

• Chemical name: N-carbamoylmethyl-pyridinium perchlorate
• Formula: C7 H9 Cl N2 O5
• Calculated formula: C7 H9 Cl N2 O5
• Title of publication: <i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate
• Authors of publication: Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 331 - 334
• a: 5.352 ± 0.002 Å
• b: 15.186 ± 0.002 Å
• c: 12.013 ± 0.001 Å
• α: 90°
• β: 95.87 ± 0.02°
• γ: 90°
• Cell volume: 971.2 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0766
• Goodness-of-fit parameter for significantly intense reflections: 2.9
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No