Information card for entry 4003354

Structure parameters

• Chemical name: catena-[bis(μ~4~-1,4-benzene-dicarboxylato)-(μ~2~-1,4- diazabicyclo[2.2.2]octane)-di-zinc] dimethylformamide clathrate
• Formula: C4.25 H6 N0.75 O1.5 Zn0.25
• Calculated formula: C2.75 H2.5 N0.25 O Zn0.25
• Title of publication: Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations
• Authors of publication: Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2983
• a: 21.5725 ± 0.0005 Å
• b: 21.5725 ± 0.0005 Å
• c: 9.6834 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3902.65 ± 0.18 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No