Information card for entry 2209051

Structure parameters

• Chemical name: catena-Poly[[(di-2-pyridylamine-κ^2^N,N')copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O,O':O'',O''']
• Formula: C18 H13 Cu N3 O4
• Calculated formula: C18 H13 Cu N3 O4
• SMILES: [Cu]123([O]=C(O1)c1ccc(cc1)C(=O)[O-])([n]1ccccc1Nc1[n]2cccc1)[O]=C(O3)c1ccc(cc1)C1=[O][Cu]2(O1)[n]1ccccc1Nc1[n]2cccc1
• Title of publication: <i>catena</i>-Poly[[(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,4-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
• Authors of publication: E. Yang; Yi Zheng; Gu-Yong Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1079 - m1080
• a: 7.6403 ± 0.0006 Å
• b: 21.103 ± 0.002 Å
• c: 9.8015 ± 0.0008 Å
• α: 90°
• β: 96.066 ± 0.004°
• γ: 90°
• Cell volume: 1571.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes