Information card for entry 2220625

Structure parameters

• Chemical name: <i>trans</i>-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- Tetrakis(carboxymethyl)cyclohexane-1,2-diammonium tetrachloridocadmium(II) tetrahydrate
• Formula: C14 H32 Cd Cl4 N2 O12
• Calculated formula: C14 H32 Cd Cl4 N2 O12
• SMILES: [C@H]1(CCCC[C@H]1[NH+](CC(=O)O)CC(=O)O)[NH+](CC(=O)O)CC(=O)O.[Cd](Cl)(Cl)([Cl-])[Cl-].O.O.O.O.[C@@H]1(CCCC[C@@H]1[NH+](CC(=O)O)CC(=O)O)[NH+](CC(=O)O)CC(=O)O.[Cd](Cl)(Cl)([Cl-])[Cl-].O.O.O.O
• Title of publication: <i>trans</i>-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(carboxymethyl)cyclohexane-1,2-diammonium tetrachloridocadmium(II) tetrahydrate
• Authors of publication: Lian, Ping; Hu, Qiao-Sheng; Xie, Yong-Rong; Guo, Hong-Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m32 - m33
• a: 11.3772 ± 0.0014 Å
• b: 8.5734 ± 0.001 Å
• c: 16.2189 ± 0.0016 Å
• α: 90°
• β: 124.119 ± 0.006°
• γ: 90°
• Cell volume: 1309.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes