Information card for entry 2230051

Structure parameters

• Chemical name: Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>')(μ~2~-2,3,5,6- tetrafluorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] 1,4-dioxane disolvate dihydrate]
• Formula: C20 H32 Cu F4 O14
• Calculated formula: C20 H32 Cu F4 O14
• Title of publication: Poly[[diaqua(μ~2~-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>')(μ~2~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] 1,4-dioxane disolvate dihydrate]
• Authors of publication: Yu, Jing; Zhang, Yi-Feng; Sun, Fu-An; Chen, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m527 - m528
• a: 7.654 ± 0.002 Å
• b: 11.253 ± 0.003 Å
• c: 16.126 ± 0.004 Å
• α: 90°
• β: 99.634 ± 0.006°
• γ: 90°
• Cell volume: 1369.4 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes