Information card for entry 2229533

Structure parameters

• Chemical name: Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) methanol monosolvate monohydrate
• Formula: C35 H32 Cu N4 O12
• Calculated formula: C35 H32 Cu N4 O12
• SMILES: [Cu]1234([n]5c(C(=O)O3)cccc5C(=O)O2)[n]2c(cccc2C(=O)O4)C(=O)O1.Oc1c2[nH+]c(C)ccc2ccc1.Oc1c2[nH+]c(C)ccc2ccc1.OC.O
• Title of publication: Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) methanol monosolvate monohydrate
• Authors of publication: Aghabozorg, Hossein; Gholizadeh, Ahmad; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m379 - m380
• a: 10.116 ± 0.002 Å
• b: 12.895 ± 0.003 Å
• c: 14.816 ± 0.003 Å
• α: 64.45 ± 0.03°
• β: 76.23 ± 0.03°
• γ: 83.74 ± 0.03°
• Cell volume: 1693.5 ± 0.8 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: 0.0509
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes