Information card for entry 2228971

Structure parameters

• Chemical name: Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II)
• Formula: C26 H24 Cu N6 O8
• Calculated formula: C26 H24 Cu N6 O8
• SMILES: C1(O[Cu]234([n]5c1cccc5C(=O)O3)[n]1c(C(=O)O2)cccc1C(=O)O4)=O.c1([nH+]ccc(c1)C)N.c1([nH+]ccc(c1)C)N
• Title of publication: Bis(2-amino-4-methylpyridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II)
• Authors of publication: Aghabozorg, Hossein; Mofidi Rouchi, Azadeh; Notash, Behrouz; Mirzaei, Masoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m189
• a: 24.034 ± 0.005 Å
• b: 14.231 ± 0.003 Å
• c: 7.978 ± 0.0016 Å
• α: 90°
• β: 107.01 ± 0.03°
• γ: 90°
• Cell volume: 2609.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes