Information card for entry 2205187

Structure parameters

• Chemical name: catena-Poly [tetraqua cadmium(II)-μ-hexane-1,6-diamineK~2~N:N'] terephthalate dihydrate]
• Formula: C14 H32 Cd N2 O10
• Calculated formula: C14 H32 Cd N2 O10
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])([NH2]CCCCCCN)[NH2]CCCCCC[NH2][Cd]([OH2])([OH2])([OH2])[OH2].[O-]C(=O)c1ccc(C(=O)[O-])cc1.O.O=C([O-])c1ccc(C(=O)[O-])cc1.O.O.O
• Title of publication: <i>catena</i>-Poly[[tetraaquacadmium(II)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] terephthalate dihydrate]
• Authors of publication: Meng, Xiang-Gao; Lin, Zhi-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m263 - m264
• a: 6.4744 ± 0.0016 Å
• b: 23.758 ± 0.006 Å
• c: 7.5236 ± 0.0019 Å
• α: 90°
• β: 108.715 ± 0.003°
• γ: 90°
• Cell volume: 1096.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes