Information card for entry 2236057

Structure parameters

• Chemical name: Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2- carboxylato]copper(II)] dihydrate]
• Formula: C34 H28 Cu N4 O9
• Calculated formula: C34 H28 Cu N4 O9
• Title of publication: Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2-carboxylato]copper(II)] dihydrate]
• Authors of publication: Song, Yun-Sung; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1422
• a: 29.6255 ± 0.0008 Å
• b: 6.8582 ± 0.0002 Å
• c: 14.8264 ± 0.0004 Å
• α: 90°
• β: 94.728 ± 0.003°
• γ: 90°
• Cell volume: 3002.14 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes