Information card for entry 2227023

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-oxydibenzoato- κ^2^<i>O</i>:<i>O</i>']
• Formula: C26 H22 Cu N2 O6
• Calculated formula: C26 H22 Cu N2 O6
• SMILES: [Cu]1([n]2c(c3[n]1cc(C)cc3)ccc(C)c2)(OC(=O)c1c(Oc2c(C(=O)[O-])cccc2)cccc1)([OH2])OC(=O)c1ccccc1Oc1ccccc1C(=O)O[Cu]1([n]2c(ccc(C)c2)c2[n]1cc(cc2)C)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Mei, Chong-Zhen; Xiong, Han-Lin; Zhang, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m905 - m906
• a: 7.4235 ± 0.0011 Å
• b: 17.475 ± 0.003 Å
• c: 18.053 ± 0.003 Å
• α: 90°
• β: 98.188 ± 0.003°
• γ: 90°
• Cell volume: 2318.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0968
• 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