Information card for entry 7214560

Structure parameters

• Chemical name: (2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate
• Formula: C8.5 H11.5 N4.5 O3.5 Zn
• Calculated formula: C7 H8 N4 O3 Zn
• Title of publication: Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent
• Authors of publication: Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9394
• a: 18.0166 ± 0.0005 Å
• b: 18.0166 ± 0.0005 Å
• c: 18.6077 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5230.8 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No