Information card for entry 2236959

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis[<i>N</i>-(pyridin-3-yl)isonicotinamide- κ<i>N</i>^1^]copper(II)]-μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C26 H22 Cu N6 O7
• Calculated formula: C26 H22 Cu N6 O7
• SMILES: [Cu]([OH2])(OC(=O)/C=C/C(=O)O[Cu]([OH2])([n]1ccc(cc1)C(=O)Nc1cccnc1)[n]1ccc(cc1)C(=O)Nc1cccnc1)([n]1ccc(cc1)C(=O)Nc1cccnc1)(OC(=O)/C=C/C(=O)[O-])[n]1ccc(cc1)C(=O)Nc1cccnc1
• Title of publication: <i>catena</i>-Poly[[aquabis[<i>N</i>-(pyridin-3-yl)isonicotinamide-κ<i>N</i>^1^]copper(II)]-μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Qiblawi, Sultan H.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1514
• a: 29.854 ± 0.004 Å
• b: 5.3535 ± 0.0007 Å
• c: 17.353 ± 0.002 Å
• α: 90°
• β: 118.686 ± 0.002°
• γ: 90°
• Cell volume: 2433 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes