Information card for entry 2205618

Structure parameters

• Formula: C12 H18 Cd2 Cl4 N6 S2
• Calculated formula: C12 H18 Cd2 Cl4 N6 S2
• SMILES: [n]12c(C)cc(n2C(N)=[S][Cd]21(Cl)[Cl][Cd]1([n]3n(C(N)=[S]1)c(cc3C)C)([Cl]2)Cl)C
• Title of publication: Di-μ-chloro-bis{chloro[3,5-dimethyl-1-(thiocarbamoyl)pyrazole-κ^2^<i>N</i>^2^,<i>S</i>]cadmium(II)}
• Authors of publication: Radosavljević Evans, Ivana; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m641 - m643
• a: 7.7442 ± 0.0011 Å
• b: 8.6866 ± 0.0012 Å
• c: 8.7559 ± 0.0012 Å
• α: 90.213 ± 0.003°
• β: 110.427 ± 0.003°
• γ: 103.074 ± 0.003°
• Cell volume: 535.46 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0313
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No