Information card for entry 2021810

Structure parameters

• Chemical name: Poly[tetrakis(μ~4~-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)tetrakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tetrakis(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)hexacadmium(II)]
• Formula: C76 H60 Cd6 F8 N16 O20
• Calculated formula: C76 H60 Cd6 F8 N16 O20
• Title of publication: Topological identification of the first uninodal 8-connected lsz MOF built from 2,2'-difluorobiphenyl-4,4'-dicarboxylate pillars and cadmium(II)‒triazolate layers
• Authors of publication: Zhang, Yuchi; Wu, Yuanhua; He, Xin; Ma, Junhan; Shen, Xuan; Zhu, Dunru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 256 - 262
• a: 18.644 ± 0.002 Å
• b: 18.646 ± 0.002 Å
• c: 26.106 ± 0.003 Å
• α: 90°
• β: 107.16 ± 0.001°
• γ: 90°
• Cell volume: 8671.4 ± 1.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes