Information card for entry 2207646

Structure parameters

• Chemical name: catena-Poly[[[aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ- thiophene-2,5-dicarboxylato-κ^2^O^2^:O^5^] N,N-dimethylformamide monohydrate]
• Formula: C19 H22 Cu N4 O7 S
• Calculated formula: C19 H22 Cu N4 O7 S
• SMILES: [Cu]1([n]2ccccc2Nc2[n]1cccc2)(OC(=O)c1sc(cc1)C(=O)[O-])([OH2])OC(=O)c1sc(C(=O)O[Cu]2([n]3ccccc3Nc3[n]2cccc3)[OH2])cc1.O=CN(C)C.O.O=CN(C)C.O
• Title of publication: <i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-thiophene-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]
• Authors of publication: Hong-Ping Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2592 - m2594
• a: 7.067 ± 0.001 Å
• b: 24.123 ± 0.002 Å
• c: 13.379 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes