Information card for entry 2228610

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane- κ^2^<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)] sulfate]
• Formula: C8 H20 Cd N6 O8 S
• Calculated formula: C8 H20 Cd N6 O8 S
• Title of publication: <i>catena</i>-Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)] sulfate]
• Authors of publication: Song, Jing-Jing; Zhang, Kou-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1529
• a: 12.1858 ± 0.0009 Å
• b: 10.9733 ± 0.0008 Å
• c: 12.4916 ± 0.0009 Å
• α: 90°
• β: 90.227 ± 0.001°
• γ: 90°
• Cell volume: 1670.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes