Information card for entry 2212085

Structure parameters

• Common name: 1,10-Phenanthrolin-1-ium pamoate N,N-dimethylformamide solvate
• Chemical name: 1,10-Phenanthrolin-1-ium 4-(3-carboxy-2-hydroxynaphthylmethyl)-3-hydroxy-2-naphthoate N,N-dimethylformamide solvate
• Formula: C38 H31 N3 O7
• Calculated formula: C38 H31 N3 O7
• SMILES: Oc1c(c2c(cc1C(=O)O)cccc2)Cc1c(O)c(cc2ccccc12)C(=O)[O-].O=CN(C)C.n1cccc2ccc3ccc[nH+]c3c12
• Title of publication: 1,10-Phenanthrolin-1-ium pamoate <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Tong-Ming Shang; Quan-Fa Zhou; Jian-Hua Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o506 - o508
• a: 10.7047 ± 0.0012 Å
• b: 11.7544 ± 0.0014 Å
• c: 13.4577 ± 0.0015 Å
• α: 82.238 ± 0.003°
• β: 72.346 ± 0.002°
• γ: 71.824 ± 0.002°
• Cell volume: 1531.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes