Information card for entry 2020003

Structure parameters

• Chemical name: Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)terephthalamide]bis(μ~3~-4,4'-oxydibenzoato)dizinc(II)]
• Formula: C46 H30 N4 O12 Zn2
• Calculated formula: C46 H30 N4 O12 Zn2
• Title of publication: Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net
• Authors of publication: Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 636 - 642
• a: 23.1681 ± 0.0011 Å
• b: 13.0753 ± 0.0006 Å
• c: 13.2643 ± 0.0006 Å
• α: 90°
• β: 97.251 ± 0.003°
• γ: 90°
• Cell volume: 3986 ± 0.3 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: 0.0285
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes