Information card for entry 2216746

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(benzoato-κ<i>O</i>)copper(II)]-μ-1,1'- (3-oxapentane-1,5-diyl)diimidazole] monohydrate]
• Formula: C24 H26 Cu N4 O6
• Calculated formula: C24 H26 Cu N4 O6
• Title of publication: <i>catena</i>-Poly[[[bis(benzoato-κ<i>O</i>)copper(II)]-μ-1,1'-(3-oxapentane-1,5-diyl)diimidazole] monohydrate]
• Authors of publication: Guo-Hua Wei; Jie Liu; Hong-Ye Bai; Jin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3146 - m3146
• a: 11.496 ± 0.0015 Å
• b: 7.74 ± 0.0016 Å
• c: 13.609 ± 0.003 Å
• α: 90°
• β: 103.14 ± 0.003°
• γ: 90°
• Cell volume: 1179.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes