Information card for entry 2215435

Structure parameters

• Chemical name: Di-μ-chlorido-bis[chlorido(di-2-pyridylmethanediol-κ^3^N,N',O)cadmium(II)] trihydrate
• Formula: C22 H26 Cd2 Cl4 N4 O7
• Calculated formula: C22 H26 Cd2 Cl4 N4 O7
• SMILES: c1cccc2C3(c4cccc[n]4[Cd]4([n]12)(Cl)([OH]3)[Cl][Cd]12([n]3ccccc3C(c3cccc[n]13)([OH]2)O)(Cl)[Cl]4)O.O.O.O
• Title of publication: Di-μ-chlorido-bis[chlorido(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)cadmium(II)] trihydrate
• Authors of publication: Li, Ya-Min; Zhang, Jing-Lai; Zhao, Xiao-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2475 - m2475
• a: 8.1634 ± 0.0001 Å
• b: 9.718 ± 0.0001 Å
• c: 19.6761 ± 0.0002 Å
• α: 100.453 ± 0.007°
• β: 92.23 ± 0.011°
• γ: 106.272 ± 0.008°
• Cell volume: 1466.87 ± 0.08 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 all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes