Information card for entry 2218209

Structure parameters

• Chemical name: (3,5-Dichlorosalicylaldehyde thiosemicarbazonato-κ^3^S,O,N)(<i>N</i>,<i>N</i>'- dimethylformamide-κ<i>O</i>)copper(II) dimethylformamide solvate
• Formula: C14 H19 Cl2 Cu N5 O3 S
• Calculated formula: C14 H19 Cl2 Cu N5 O3 S
• SMILES: [Cu]12(Oc3c(C=[N]1N=C(N)S2)cc(Cl)cc3Cl)[O]=CN(C)C.N(C=O)(C)C
• Title of publication: (3,5-Dichlorosalicylaldehyde thiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>^1^,<i>O</i>)(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II) dimethylformamide solvate
• Authors of publication: Wang, Yuan; Liu, Zheng; Gao, Jiong-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m633 - m634
• a: 9.4979 ± 0.001 Å
• b: 9.8057 ± 0.0012 Å
• c: 21.744 ± 0.002 Å
• α: 90°
• β: 94.263 ± 0.002°
• γ: 90°
• Cell volume: 2019.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes