Information card for entry 2214267

Structure parameters

• Chemical name: catena-Poly[[aqua(2,2'-bipyridine-N,N')cadmium(II)-μ- cyclohexane-1,4-dicarboxylato-κ^4^O,O':O'',O'''] 2.5-hydrate]
• Formula: C18 H25 Cd N2 O7.5
• Calculated formula: C18 H25 Cd N2 O7.5
• SMILES: [Cd]123([O]=C(O1)C1CCC(CC1)C(=O)[O-])([n]1ccccc1c1[n]2cccc1)([OH2])[O]=C(O3)C1CCC(CC1)C1=[O][Cd]2(O1)([n]1ccccc1c1[n]2cccc1)[OH2].O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)-μ-cyclohexane-1,4-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] 2.5-hydrate]
• Authors of publication: Li, Na; Wang, Yan-Qin; Weng, Jia-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1862 - m1863
• a: 15.657 ± 0.002 Å
• b: 13.14 ± 0.002 Å
• c: 21.287 ± 0.003 Å
• α: 90°
• β: 111.129 ± 0.007°
• γ: 90°
• Cell volume: 4085 ± 1 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: 0.0246
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes