Information card for entry 2223946

Structure parameters

• Chemical name: Poly[[[bis(acetato-κ<i>O</i>)copper(II)]-μ-1,4-diimidazol-1-ylbenzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^] dihydrate]
• Formula: C16 H20 Cu N4 O6
• Calculated formula: C16 H20 Cu N4 O6
• SMILES: [Cu](OC(=O)C)(OC(=O)C)([n]1ccn(c1)c1ccc(cc1)n1cncc1)[n]1ccn(c1)c1ccc(cc1)n1c[n](cc1)[Cu](OC(=O)C)OC(=O)C.O.O.O.O
• Title of publication: Poly[[[bis(acetato-κ<i>O</i>)copper(II)]-μ-1,4-diimidazol-1-ylbenzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] dihydrate]
• Authors of publication: Deng, Yi-Fang; Chen, Man-Sheng; Kuang, Dai-Zhi; Zhang, Chun-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1482
• a: 4.707 ± 0.002 Å
• b: 9.444 ± 0.003 Å
• c: 10.901 ± 0.005 Å
• α: 72.569 ± 0.005°
• β: 82.956 ± 0.004°
• γ: 76.766 ± 0.005°
• Cell volume: 449.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes