Information card for entry 2242030

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]
• Formula: C22 H22 Cu N4 O6
• Calculated formula: C22 H22 Cu N4 O6
• SMILES: c1[n](ccn1c1ccc(cc1)O)[Cu]([n]1cn(cc1)c1ccc(cc1)O)(OC(=O)C)OC(=O)C
• Title of publication: Crystal structure of <i>catena</i>-poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]
• Authors of publication: Poyraz, Mehmet; Sarı, Musa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 209 - 212
• a: 10.2029 ± 0.0015 Å
• b: 15.089 ± 0.002 Å
• c: 7.7814 ± 0.0011 Å
• α: 90°
• β: 111.545 ± 0.004°
• γ: 90°
• Cell volume: 1114.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0593
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes