Information card for entry 2020037

Structure parameters

• Chemical name: <i>catena</i>-Poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]]
• Formula: C7 H10 Cd Cl2 N2 O2
• Calculated formula: C7 H10 Cd Cl2 N2 O2
• SMILES: [Cd]123([O]=C(O1)c1cc([NH2][Cd]4([O]=C(O4)c4cc([NH2]2)ccc4)(Cl)Cl)ccc1)(Cl)[Cl][Cd]12([Cl]3)(Cl)[O]=C(O1)c1cc(ccc1)[NH2][Cd]1([O]=C(O1)c1cc([NH2]2)ccc1)(Cl)Cl.[NH4+].[NH4+].[NH4+].[NH4+]
• 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: 6.9826 ± 0.0014 Å
• b: 14.909 ± 0.003 Å
• c: 10.417 ± 0.002 Å
• α: 90°
• β: 99.3 ± 0.03°
• γ: 90°
• Cell volume: 1070.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0236
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes