Information card for entry 2236686

Structure parameters

• Chemical name: Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]
• Formula: C10 H8 Ca O11 Zn
• Calculated formula: C10 H8 Ca O11 Zn
• Title of publication: Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]
• Authors of publication: Jia, Yong-Yan; Chen, Bo; Yuan, Yu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1150
• a: 6.2006 ± 0.0012 Å
• b: 9.77 ± 0.002 Å
• c: 11.259 ± 0.003 Å
• α: 90°
• β: 115.33 ± 0.02°
• γ: 90°
• Cell volume: 616.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes