Information card for entry 2015284

Structure parameters

• Chemical name: cis-Diaquabis[(E)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^O,O']cadmium(II)
• Formula: C28 H24 Cd N2 O8
• Calculated formula: C28 H24 Cd N2 O8
• SMILES: C1(c2ccc(cc2)/N=C/c2c(O)cccc2)=[O][Cd]2(O1)([OH2])([OH2])[O]=C(c1ccc(cc1)/N=C/c1c(O)cccc1)O2
• Title of publication: <i>cis</i>-Diaquabis[(<i>E</i>)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^<i>O</i>,<i>O</i>']cadmium(II): two-dimensional layers built from strong O—H···O hydrogen bonding in the coordination sphere
• Authors of publication: Yao, Shu-Qin; Zhu, Miao-Li; Lu, Li-Ping; Gao, Xiao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m183 - m185
• a: 40.703 ± 0.006 Å
• b: 5.097 ± 0.0008 Å
• c: 12.2793 ± 0.0018 Å
• α: 90°
• β: 103.498 ± 0.003°
• γ: 90°
• Cell volume: 2477.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No