Information card for entry 2216578

Structure parameters

• Chemical name: catena-Poly[4,4'-bipyridinium [bis(μ~3~-pyrazole-3,5-dicarboxylato- κ^5^O^5^,N^1^:N^2^,O^3^:O^3^)dicopper(II)]]
• Formula: C20 H12 Cu2 N6 O8
• Calculated formula: C20 H12 Cu2 N6 O8
• SMILES: C1(=O)c2cc3C(=O)O[Cu]45n6c(cc7C(=O)O[Cu](n2[n]34)(O1)[n]67)C(=O)O5.c1cc(cc[nH+]1)c1cc[nH+]cc1
• Title of publication: <i>catena</i>-Poly[4,4'-bipyridinium [bis(μ~3~-pyrazole-3,5-dicarboxylato-κ^5^<i>O</i>^5^,<i>N</i>^1^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3^)dicopper(II)]]
• Authors of publication: Dou, Qing-Qing; He, Yong-Ke; Zhang, Li-Tian; Han, Zheng-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2908 - m2909
• a: 8.1582 ± 0.0018 Å
• b: 6.362 ± 0.0012 Å
• c: 18.679 ± 0.003 Å
• α: 90°
• β: 101.862 ± 0.015°
• γ: 90°
• Cell volume: 948.8 ± 0.3 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 all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes