Information card for entry 2018119

Structure parameters

• Chemical name: Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1- yl)butane]cadmium(II)]
• Formula: C18 H20 Cd N6 O4
• Calculated formula: C18 H20 Cd N6 O4
• Title of publication: Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains
• Authors of publication: Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m173 - m175
• a: 9.79 ± 0.0013 Å
• b: 10.1129 ± 0.0013 Å
• c: 11.2737 ± 0.0014 Å
• α: 66.198 ± 0.002°
• β: 87.935 ± 0.001°
• γ: 69.418 ± 0.002°
• Cell volume: 948.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes