Information card for entry 2213666

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole)copper(II)] -μ-1,4-cyclohexanedicarboxylato-κ^2^<i>O</i>,<i>O</i>'] monohydrate]
• Formula: C16 H24 Cu N4 O5
• Calculated formula: C16 H24 Cu N4 O5
• SMILES: [Cu]([n]1cc[nH]c1C)([n]1cc[nH]c1C)(OC(=O)C1CCC(CC1)C(=O)[O-])OC(=O)C1CCC(C(=O)O[Cu]([n]2cc[nH]c2C)[n]2cc[nH]c2C)CC1.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole)copper(II)]-μ-1,4-cyclohexanedicarboxylato-κ^2^<i>O</i>,<i>O</i>'] monohydrate]
• Authors of publication: Gejihu De
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1748 - m1749
• a: 13.179 ± 0.003 Å
• b: 11.897 ± 0.002 Å
• c: 12.314 ± 0.003 Å
• α: 90°
• β: 96.03 ± 0.03°
• γ: 90°
• Cell volume: 1920 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes