Information card for entry 2218893

Structure parameters

• Chemical name: 9-(2-Pyridylmethoxy)-1,10-phenanthrolin-1-ium perchlorate methanol solvate
• Formula: C19 H18 Cl N3 O6
• Calculated formula: C19 H18 Cl N3 O6
• SMILES: c1ccc2c(c3c(cc2)ccc(n3)OCc2ccccn2)[nH+]1.CO.Cl(=O)(=O)(=O)[O-]
• Title of publication: 9-(2-Pyridylmethoxy)-1,10-phenanthrolin-1-ium perchlorate methanol solvate
• Authors of publication: Zhang, Shi Guo; Hou, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1450
• a: 7.0765 ± 0.0015 Å
• b: 10.597 ± 0.002 Å
• c: 14.164 ± 0.003 Å
• α: 110.003 ± 0.003°
• β: 94.999 ± 0.003°
• γ: 105.304 ± 0.003°
• Cell volume: 944.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes