Information card for entry 2204698

Structure parameters

• Chemical name: Dibromobis(pyridinium-2-thiolato-κS)cadmium(II)
• Formula: C10 H10 Br2 Cd N2 S2
• Calculated formula: C10 H10 Br2 Cd N2 S2
• SMILES: Br[Cd]([S]=c1cccc[nH]1)(Br)[S]=c1cccc[nH]1
• Title of publication: Dibromobis[pyridine-2(1<i>H</i>)-thione-κ<i>S</i>]cadmium(II)
• Authors of publication: Xiu-Jian Wang; Qing-Ling Ni; Zhong-Shu Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1918 - m1919
• a: 13.05 ± 0.003 Å
• b: 28.521 ± 0.006 Å
• c: 8.065 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3001.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes