Information card for entry 2217122

Structure parameters

• Chemical name: poly[[di-μ~4~-4,4'-oxydiphthalato-tetrakis[μ~2~-1,1'-(<i>p</i>- phenylenedimethylene)di-1<i>H</i>-imidazole]tetracopper(II)] monohydrate]
• Formula: C88 H70 Cu4 N16 O19
• Calculated formula: C88 H70 Cu4 N16 O19
• Title of publication: Poly[[di-μ~4~-4,4'-oxydiphthalato-tetrakis[μ~2~-1,1'-(<i>p</i>-phenylenedimethylene)di-1<i>H</i>-imidazole]tetracopper(II)] monohydrate]
• Authors of publication: Wu, Zhang; Li, Yao; Ruojie, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m169 - m169
• a: 18.75 ± 0.003 Å
• b: 10.3283 ± 0.0017 Å
• c: 22.386 ± 0.004 Å
• α: 90°
• β: 97.388 ± 0.003°
• γ: 90°
• Cell volume: 4299.2 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes