Information card for entry 2202682

Structure parameters

• Chemical name: Triaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate tetrahydrate'
• Formula: C32 H36 Cu N4 O11
• Calculated formula: C32 H36 Cu N4 O11
• SMILES: c1cc(cc[n]1[Cu]([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[OH2])c1ccncc1.O=C([O-])c1cc2c(cc1)cc(cc2)C(=O)[O-].O.O.O
• Title of publication: Tetraaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate trihydrate
• Authors of publication: Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m614 - m615
• a: 7.4063 ± 0.0005 Å
• b: 18.157 ± 0.001 Å
• c: 23.801 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3200.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No