Information card for entry 2012778

Structure parameters

• Formula: C4 H8 Cd N6 S4
• Calculated formula: C4 H8 Cd N6 S4
• SMILES: [Cd]1(N=C=S)(N=C=S)S(=C(N)N)[Cd]([S]=C(N)N)(S1=C(N)N)([S]=C(N)N)(N=C=S)N=C=S
• Title of publication: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)cadmium(II)]-di-μ-thiourea-κ^4^<i>S</i>:<i>S</i>]
• Authors of publication: Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m336 - m337
• a: 4.0368 ± 0.0003 Å
• b: 7.7237 ± 0.0004 Å
• c: 10.1355 ± 0.0005 Å
• α: 84.607 ± 0.004°
• β: 80.825 ± 0.005°
• γ: 75.318 ± 0.005°
• Cell volume: 301.31 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes