Information card for entry 2209901

Structure parameters

• Chemical name: Bis(4-methoxy-2-oxidoacetophenone)copper(II)
• Formula: C18 H18 Cu O6
• Calculated formula: C18 H18 Cu O6
• SMILES: c12C(C)=[O][Cu]3(Oc1cc(cc2)OC)Oc1c(C(=[O]3)C)ccc(c1)OC
• Title of publication: Bis(4-methoxy-2-oxidoacetophenone)copper(II)
• Authors of publication: Xing-You Xu; Tong-Tao Xu; Jian Gao; Da-Qi Wang; Lude Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1768 - m1769
• a: 8.871 ± 0.004 Å
• b: 13.763 ± 0.006 Å
• c: 6.523 ± 0.003 Å
• α: 90°
• β: 90.824 ± 0.006°
• γ: 90°
• Cell volume: 796.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes