Information card for entry 2228042

Structure parameters

• Chemical name: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate
• Formula: C40 H34 Cu N6 O11
• Calculated formula: C40 H34 Cu N6 O11
• SMILES: C1(=O)c2cccc3C(=O)O[Cu]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)O1.c12ccccc1c(c1ccccc1[nH+]2)N.c12ccccc1c(c1ccccc1[nH+]2)N.O.O.O
• Title of publication: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate
• Authors of publication: Aghabozorg, Hossein; Ahmadvand, Shabnam; Mirzaei, Masoud; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1318 - m1319
• a: 10.921 ± 0.002 Å
• b: 13.299 ± 0.003 Å
• c: 14.008 ± 0.003 Å
• α: 102.09 ± 0.03°
• β: 103.96 ± 0.03°
• γ: 105.38 ± 0.03°
• Cell volume: 1820.6 ± 0.9 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: 0.0514
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes