Information card for entry 2218422

Structure parameters

• Chemical name: 1,10-Phenanthrolinium 4-chloro-2-hydroxybenzoate‒1,10-phenanthroline‒ 4-chloro-2-hydroxybenzoic acid (1/1/1)
• Formula: C38 H26 Cl2 N4 O6
• Calculated formula: C38 H26 Cl2 N4 O6
• Title of publication: 1,10-Phenanthrolinium 4-chloro-2-hydroxybenzoate‒1,10-phenanthroline‒4-chloro-2-hydroxybenzoic acid (1/1/1)
• Authors of publication: Shen, Hong; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1146 - o1147
• a: 8.0627 ± 0.0006 Å
• b: 19.6005 ± 0.0015 Å
• c: 20.7929 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3286 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes