Information card for entry 7017563

Structure parameters

• Formula: C80 H52 Cu4 N8 O31
• Calculated formula: C80 H52 Cu4 N8 O31
• Title of publication: Synthesis, structural characterization and anion-sensing studies of metal(ii) complexes based on 3,3',4,4'-oxydiphthalate and N-donor ligands.
• Authors of publication: Gong, Yun; Qin, Jianbo; Wu, Tao; Li, Jinghua; Yang, Li; Cao, Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1961 - 1970
• a: 13.287 ± 0.004 Å
• b: 18.455 ± 0.005 Å
• c: 16.997 ± 0.005 Å
• α: 90°
• β: 103.84 ± 0.004°
• γ: 90°
• Cell volume: 4047 ± 2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No