Information card for entry 2020038

Structure parameters

• Chemical name: <i>catena</i>-poly[[[aquacadmium(II)]-bis(μ-4-aminobenzoato)-\ κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>] monohydrate]
• Formula: C14 H16 Cd N2 O6
• Calculated formula: C14 H16 Cd N2 O6
• Title of publication: Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
• Authors of publication: Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 15.338 ± 0.003 Å
• b: 6.1963 ± 0.0012 Å
• c: 20 ± 0.008 Å
• α: 90°
• β: 121.09 ± 0.02°
• γ: 90°
• Cell volume: 1627.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes