Information card for entry 2014418

Structure parameters

• Chemical name: poly[cadmium(II)-μ~2~-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-di-μ~2~- thiocyanato]
• Formula: C14 H12 Cd N8 S2
• Calculated formula: C14 H12 Cd N8 S2
• Title of publication: A novel three-dimensional cadmium(II) coordination polymer incorporating 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate
• Authors of publication: Bao-Zong Li; Xun-Gao Liu; Yan-Fen Peng; Bao-Long Li; Yong Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m41 - m44
• a: 22.749 ± 0.004 Å
• b: 9.5867 ± 0.0015 Å
• c: 7.9484 ± 0.0014 Å
• α: 90°
• β: 99.787 ± 0.005°
• γ: 90°
• Cell volume: 1708.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes