Information card for entry 2209701

Structure parameters

• Chemical name: 1,10-Phenanthrolinium perchlorate
• Formula: C12 H9 Cl N2 O4
• Calculated formula: C12 H9 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1c2c3[nH+]cccc3ccc2ccc1
• Title of publication: 1,10-Phenanthrolinium perchlorate
• Authors of publication: Shang, Run-Ling; Du, Lin; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2920 - o2921
• a: 5.8054 ± 0.0012 Å
• b: 9.778 ± 0.002 Å
• c: 10.628 ± 0.002 Å
• α: 93.16 ± 0.03°
• β: 101.41 ± 0.03°
• γ: 98.08 ± 0.03°
• Cell volume: 583.4 ± 0.2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1275
• 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