Information card for entry 2014218

Structure parameters

• Chemical name: bis[μ-6-(ethoxycarbonyl)pyridine-2-carboxylato]- 1:2κ^4^O^6^,N,O^2^:O^2^;1:2κ^4^O^2^:O^2^,N,O^6^-bis[diaquachlorocadmium(II)] dihydrate
• Formula: C18 H28 Cd2 Cl2 N2 O14
• Calculated formula: C18 H28 Cd2 Cl2 N2 O14
• SMILES: c12cccc3C(=O)[O]4[Cd]([n]23)([O]=C1OCC)(Cl)([OH2])([OH2])[O]1C(=O)c2cccc3C(=[O][Cd]41([n]23)(Cl)([OH2])[OH2])OCC.O.O
• Title of publication: Bis(μ-ethyl pyridine-2,6-dicarboxylato)bis[diaquachlorocadmium(II)] dihydrate
• Authors of publication: Yang, E.; Li, Zhao-Ji; Zhang, Jian; Chen, Yu-Biao; Yao, Yuan-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m457 - m459
• a: 6.8414 ± 0.0006 Å
• b: 10.7408 ± 0.0009 Å
• c: 10.7597 ± 0.0009 Å
• α: 64.042 ± 0.002°
• β: 77.298 ± 0.002°
• γ: 72.81 ± 0.002°
• Cell volume: 675.34 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes