Information card for entry 2232147

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>imidazole-κ<i>N</i>^3^)copper(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Formula: C12 H16 Cu N4 O4
• Calculated formula: C12 H16 Cu N4 O4
• SMILES: [Cu]1([n]2cn(CC)cc2)([n]2cn(cc2)CC)[O]=C2C(O1)=[O][Cu]1(O2)(OC(=O)C(=O)O1)([n]1ccn(c1)CC)[n]1cn(cc1)CC
• Title of publication: <i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Authors of publication: Xu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1585
• a: 5.62 ± 0.0011 Å
• b: 8.8577 ± 0.0018 Å
• c: 14.481 ± 0.003 Å
• α: 90°
• β: 96.55 ± 0.03°
• γ: 90°
• Cell volume: 716.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes