Information card for entry 2228821

Structure parameters

• Chemical name: Poly[tetraaquabis(μ~3~-benzene-1,3-dicarboxylato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(μ~2~-benzene-1,3-dicarboxylato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')[μ~2~‒1,4-bis(1,2,4-triazol-1- yl)butane-κ^2^<i>N</i>:<i>N</i>']tetrazinc(II)]
• Formula: C40 H36 N6 O20 Zn4
• Calculated formula: C40 H36 N6 O20 Zn4
• Title of publication: Poly[tetraaquabis(μ~3~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>:<i>N</i>']tetrazinc(II)]
• Authors of publication: Fu, Gui-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m73
• a: 10.064 ± 0.002 Å
• b: 21.147 ± 0.004 Å
• c: 10.237 ± 0.002 Å
• α: 90°
• β: 91.76 ± 0.03°
• γ: 90°
• Cell volume: 2177.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes