Information card for entry 2015676

Structure parameters

• Chemical name: catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato- κ^2^O,O')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]
• Formula: C26 H34 Cd N2 O10
• Calculated formula: C26 H34 Cd N2 O10
• SMILES: [Cd]12(OC(=[O]1)C1CCC(CC1)C(=O)O)([OH2])([O]=C(O2)C1CCC(CC1)C(=O)O)([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Cd]12([O]=C(O1)C1CCC(CC1)C(=O)O)(OC(=[O]2)C1CCC(CC1)C(=O)O)[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]
• Authors of publication: E Yang; Rong-Qiang Zhuang; Jian-Xin Chen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m612 - m613
• a: 11.645 ± 0.0002 Å
• b: 15.149 ± 0.0002 Å
• c: 15.194 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2680.38 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes