Information card for entry 2018075

Structure parameters

• Chemical name: poly[(μ~5~-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: A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]
• Authors of publication: Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m137 - m139
• a: 9.8072 ± 0.0005 Å
• b: 17.1235 ± 0.0009 Å
• c: 14.6837 ± 0.0006 Å
• α: 90°
• β: 129.866 ± 0.002°
• γ: 90°
• Cell volume: 1892.68 ± 0.17 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No