Information card for entry 2006019

Structure parameters

• Chemical name: N-carbamoylmethyl-N'-methyl-4,4'-bipyridinium bis(perchlorate) hydrate
• Formula: C13 H17 Cl2 N3 O10
• Calculated formula: C13 H17 Cl2 N3 O10
• 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: 11.528 ± 0.003 Å
• b: 8.643 ± 0.003 Å
• c: 19.141 ± 0.002 Å
• α: 90°
• β: 106.56 ± 0.01°
• γ: 90°
• Cell volume: 1828 ± 0.8 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: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0624
• Goodness-of-fit parameter for significantly intense reflections: 2.89
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No