Information card for entry 2018608

Structure parameters

• Chemical name: Poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]\ zinc(II)]
• Formula: C20 H24 N6 O4 Zn
• Calculated formula: C20 H24 N6 O4 Zn
• Title of publication: A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]
• Authors of publication: Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m309 - m311
• a: 16.203 ± 0.002 Å
• b: 5.9721 ± 0.0009 Å
• c: 22.156 ± 0.003 Å
• α: 90°
• β: 99.223 ± 0.002°
• γ: 90°
• Cell volume: 2116.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes