Information card for entry 2220152

Structure parameters

• Chemical name: <i>catena</i>-Poly[[di-μ-chlorido-bis{[6-methoxy-2-(4- methylphenyliminiomethyl)phenolato-κ^2^<i>O</i>,<i>O</i>']cadmium(II)}]- di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Formula: C16 H15 Cd Cl N2 O2 S
• Calculated formula: C16 H15 Cd Cl N2 O2 S
• SMILES: [Cd]12(Cl)([O](c3cccc(/C=[NH+]/c4ccc(C)cc4)c3O1)C)[N]#CS[Cd]13([O](c4cccc(/C=[NH+]/c5ccc(C)cc5)c4O1)C)([N]#CS2)[Cl][Cd]12([Cl]3)([O](c3cccc(/C=[NH+]/c4ccc(C)cc4)c3O1)C)[N]#CS[Cd]1([O](c3cccc(/C=[NH+]/c4ccc(C)cc4)c3O1)C)([N]#CS2)[Cl]
• Title of publication: <i>catena</i>-Poly[[di-μ-chlorido-bis{[6-methoxy-2-(4-methylphenyliminiomethyl)phenolato-κ^2^<i>O</i>,<i>O</i>']cadmium(II)}]-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Li, Hua-Qiong; Xian, Hui-Duo; Liu, Jian-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1593 - m1594
• a: 9.0485 ± 0.0002 Å
• b: 9.7321 ± 0.0002 Å
• c: 10.6676 ± 0.0003 Å
• α: 71.518 ± 0.002°
• β: 77.444 ± 0.002°
• γ: 80.732 ± 0.002°
• Cell volume: 865.32 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes