Information card for entry 2210339

Structure parameters

• Chemical name: poly[aqua-μ~2~-1,4-diazabicyclo[2.2.2]octane-μ~2~-terephthalato-zinc(II)]
• Formula: C14 H18 N2 O5 Zn
• Calculated formula: C14 H18 N2 O5 Zn
• Title of publication: A two-dimensional network: poly[aqua-μ~2~-1,4-diazabicyclo[2.2.2]octane-μ~2~-terephthalato-zinc(II)]
• Authors of publication: Ling-Yun Zhang; Xian-Zhong Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2224 - m2226
• a: 10.854 ± 0.003 Å
• b: 18.955 ± 0.006 Å
• c: 7.1592 ± 0.0019 Å
• α: 90°
• β: 116.23 ± 0.02°
• γ: 90°
• Cell volume: 1321.2 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes