Information card for entry 2202105

Structure parameters

• Formula: C26 H16 Cu N4 O4
• Calculated formula: C26 H16 Cu N4 O4
• SMILES: [Cu](OC(=O)c1ccc(cc1)C#N)(OC(=O)c1ccc(cc1)C#N)([n]1ccc(cc1)c2ccncc2)[n]1ccc(cc1)c1cc[n](cc1)[Cu](OC(=O)c1ccc(cc1)C#N)OC(=O)c1ccc(cc1)C#N
• Title of publication: <i>catena</i>-Poly[[bis(4-cyanobenzoato)copper(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Hong-Yin He; Long-Guan Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o174 - o176
• a: 5.3279 ± 0.001 Å
• b: 8.9739 ± 0.0017 Å
• c: 12.195 ± 0.002 Å
• α: 99.734 ± 0.003°
• β: 92.495 ± 0.004°
• γ: 100.19 ± 0.004°
• Cell volume: 563.99 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes