Information card for entry 2223363

Structure parameters

• Common name: 1,10-phenanthrolinium 2,2'-biphenyldicarboxylate
• Chemical name: 1,10-Phenanthrolinium 2'-carboxybiphenyl-2-carboxylate
• Formula: C26 H18 N2 O4
• Calculated formula: C26 H18 N2 O4
• SMILES: [nH+]1cccc2c1c1ncccc1cc2.O=C([O-])c1ccccc1c1ccccc1C(=O)O
• Title of publication: 1,10-Phenanthrolinium 2'-carboxybiphenyl-2-carboxylate
• Authors of publication: Wang, Chongchen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2478
• a: 12.1661 ± 0.0013 Å
• b: 7.389 ± 0.001 Å
• c: 22.16 ± 0.002 Å
• α: 90°
• β: 91.061 ± 0.001°
• γ: 90°
• Cell volume: 1991.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.148
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes