Information card for entry 2213404

Structure parameters

• Chemical name: Poly[Bis(sulfolane-κO)di-μ~2~-thiocyanato-cadmium(II)]
• Formula: C10 H16 Cd N2 O4 S4
• Calculated formula: C10 H16 Cd N2 O4 S4
• SMILES: [Cd]1([O]=S2(=O)CCCC2)([O]=S2(=O)CCCC2)(SC#[N][Cd](SC#[N]1)([O]=S1(=O)CCCC1)[O]=S1(=O)CCCC1)(SC#[N])N=C=S
• Title of publication: Poly[bis(sulfolane-κ<i>O</i>)di-μ~2~-thiocyanato-cadmium(II)]
• Authors of publication: Wang, Xin-Qiang; Fan, Jian-Dong; Yu, Wen-Tao; Xu, Dong; Liu, Wei-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1461 - m1462
• a: 5.9138 ± 0.0001 Å
• b: 8.5561 ± 0.0002 Å
• c: 9.4413 ± 0.0002 Å
• α: 115.246 ± 0.001°
• β: 96.147 ± 0.001°
• γ: 94.512 ± 0.001°
• Cell volume: 425.481 ± 0.016 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0202
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes