Information card for entry 2206102

Structure parameters

• Chemical name: 1,10-Phenanthrolin-1-ium 2-carboxy-6-nitrobenzoate
• Formula: C20 H13 N3 O6
• Calculated formula: C20 H13 N3 O6
• Title of publication: 1,10-Phenanthrolin-1-ium 2-carboxy-6-nitrobenzoate
• Authors of publication: Guo, Ming-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1728 - o1730
• a: 7.623 ± 0.003 Å
• b: 19.92 ± 0.006 Å
• c: 11.558 ± 0.004 Å
• α: 90°
• β: 92.304 ± 0.006°
• γ: 90°
• Cell volume: 1753.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes