Information card for entry 2019509

Structure parameters

• Chemical name: Poly[[(μ~2~-4,4'-bipyridine)(μ~4~-naphthalene-1,4-dicarboxylato)(μ~2~-naphthalene-1,4-dicarboxylato)dizinc(II)] dimethylformamide monosolvate monohydrate]
• Formula: C37 H29 N3 O10 Zn2
• Calculated formula: C37 H29 N3 O10 Zn2
• Title of publication: A twofold interpenetrating three-dimensional zinc‒organic framework built from naphthalene-1,4-dicarboxylate and 4,4'-bipyridine ligands
• Authors of publication: Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 498 - 501
• a: 10.239 ± 0.002 Å
• b: 12.191 ± 0.002 Å
• c: 13.91 ± 0.003 Å
• α: 94.6 ± 0.03°
• β: 93.75 ± 0.03°
• γ: 99.87 ± 0.03°
• Cell volume: 1699.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes