Information card for entry 2020464

Structure parameters

• Chemical name: Poly[[(μ~2~-3,3'-dimethyl-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~4~-4,4'-oxydibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')dizinc] tetrahydrate]
• Formula: C40 H36 N2 O14 Zn2
• Calculated formula: C40 H27.128 N2 O10 Zn2
• Title of publication: A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands
• Authors of publication: Liang, Feng-Lan; Ma, De-Yun; Qin, Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 373 - 378
• a: 16.864 ± 0.004 Å
• b: 11.067 ± 0.002 Å
• c: 22.764 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4248.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes