Information card for entry 2212366

Structure parameters

• Chemical name: 1,10-phenanthroline pyridinium perchlorate
• Formula: C17 H14 Cl N3 O4
• Calculated formula: C17 H14 Cl N3 O4
• SMILES: c1ccc2c(n1)c1c(cccn1)cc2.c1cc[nH+]cc1.[O-]Cl(=O)(=O)=O
• Title of publication: 1,10-Phenanthroline pyridinium perchlorate
• Authors of publication: Xi-Shi Tai; Jie Yin; Yi-Min Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1037 - o1038
• a: 10.534 ± 0.003 Å
• b: 22.884 ± 0.008 Å
• c: 6.811 ± 0.002 Å
• α: 90°
• β: 95.403 ± 0.006°
• γ: 90°
• Cell volume: 1634.6 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes