Information card for entry 2009036

Structure parameters

• Chemical name: Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S) cadmium(II)
• Formula: C22 H30 Cd Cl2 N10 O6 S2
• Calculated formula: C22 H30 Cd Cl2 N10 O6 S2
• SMILES: [Cd](Cl)([O]=CN(C)C)([O]=CN(C)C)([S]=C(N)NN=Cc1ccc(cc1)N(=O)=O)([S]=C(N)NN=Cc1ccc(cc1)N(=O)=O)Cl
• Title of publication: Dichlorobis(dimethylformamide-<i>O</i>)bis(4-nitrobenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)
• Authors of publication: Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1641 - 1644
• a: 8.8298 ± 0.0003 Å
• b: 9.6918 ± 0.0003 Å
• c: 10.5786 ± 0.0003 Å
• α: 97.81 ± 0.001°
• β: 111.192 ± 0.001°
• γ: 105.25 ± 0.001°
• Cell volume: 787.04 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.025
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No