Information card for entry 2239450

Structure parameters

• Chemical name: Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate
• Formula: C34 H20 N6 O12
• Calculated formula: C34 H20 N6 O12
• Title of publication: Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate
• Authors of publication: Zhong, Kai-Long; Ni, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o256 - o257
• a: 8.5937 ± 0.0006 Å
• b: 9.8302 ± 0.0007 Å
• c: 18.87 ± 0.0014 Å
• α: 77.81 ± 0.002°
• β: 83.622 ± 0.002°
• γ: 68.025 ± 0.002°
• Cell volume: 1444.04 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes