Information card for entry 2020039

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Formula: C38 H34 Cd2 N6 O8
• Calculated formula: C38 H34 Cd2 N6 O8
• SMILES: [Cd]123([n]4c(c5[n]1cccc5)cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O[Cd]12([n]4ccccc4c4[n]1cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O3)C)C
• 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: 21.143 ± 0.004 Å
• b: 8.0696 ± 0.0016 Å
• c: 21.473 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3663.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes