Information card for entry 2223472

Structure parameters

• Chemical name: 1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-7-ium perchlorate monohydrate
• Formula: C13 H11 Cl N4 O5
• Calculated formula: C13 H11 Cl N4 O5
• SMILES: n1c2c3[nH+]cccc3c3nc[nH]c3c2ccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: 1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-7-ium perchlorate monohydrate
• Authors of publication: Shen, Su-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2332
• a: 11.401 ± 0.002 Å
• b: 18.475 ± 0.003 Å
• c: 6.7163 ± 0.0013 Å
• α: 90°
• β: 90.179 ± 0.003°
• γ: 90°
• Cell volume: 1414.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0809
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes