Information card for entry 2220687

Structure parameters

• Chemical name: 2-(2-Furyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline- 3,7-diium dichloride monohydrate
• Formula: C17 H14 Cl2 N4 O2
• Calculated formula: C17 H14 Cl2 N4 O2
• SMILES: c1ccc(c2[nH+]c3c4cccnc4c4c(ccc[nH+]4)c3[nH]2)o1.[Cl-].[Cl-].O
• Title of publication: 2-(2-Furyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-3,7-diium dichloride monohydrate
• Authors of publication: Chen, Ming-Hua; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o341
• a: 4.768 ± 0.003 Å
• b: 17.897 ± 0.01 Å
• c: 19.241 ± 0.011 Å
• α: 90°
• β: 92.06 ± 0.008°
• γ: 90°
• Cell volume: 1640.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes