Information card for entry 2215842

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κN^3^)copper(II)]- μ-biphenyl-2,2'-dicarboxylato-κ^2^O:O'] dihydrate]
• Formula: C22 H24 Cu N4 O6
• Calculated formula: C22 H24 Cu N4 O6
• SMILES: [Cu]([n]1cc[nH]c1C)([n]1c(C)[nH]cc1)(OC(=O)c1ccccc1c1ccccc1C(=O)[O-])OC(=O)c1c(c2c(C(=O)O[Cu]([n]3cc[nH]c3C)[n]3c(C)[nH]cc3)cccc2)cccc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Liang Wang; Xiu-Ying Li; Yang Liu; Jian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2636 - m2636
• a: 8.7554 ± 0.0018 Å
• b: 17.94 ± 0.004 Å
• c: 16.116 ± 0.003 Å
• α: 90°
• β: 104.65 ± 0.03°
• γ: 90°
• Cell volume: 2449.1 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes