Information card for entry 2235310

Structure parameters

• Chemical name: 3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate
• Formula: C16 H19 N3 O4
• Calculated formula: C16 H19 N3 O4
• Title of publication: 3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate
• Authors of publication: Zhang, Ke-Jie; Zhang, Yan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1931 - o1932
• a: 6.7401 ± 0.0008 Å
• b: 24.09 ± 0.003 Å
• c: 19.254 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes