Information card for entry 2209237

Structure parameters

• Chemical name: 2,9-Dimethyl-1,10-phenanthrolinium nitrate
• Formula: C14 H13 N3 O3
• Calculated formula: C14 H13 N3 O3
• SMILES: O=N(=O)[O-].n1c(C)ccc2ccc3ccc([nH+]c3c12)C
• Title of publication: 2,9-Dimethyl-1,10-phenanthrolinium nitrate
• Authors of publication: Yue-Qin Yu; Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2187 - o2189
• a: 6.8971 ± 0.001 Å
• b: 9.8366 ± 0.0014 Å
• c: 10.18 ± 0.0014 Å
• α: 64.443 ± 0.002°
• β: 86.796 ± 0.002°
• γ: 87.896 ± 0.002°
• Cell volume: 622.04 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes