Information card for entry 7208063

Structure parameters

• Formula: C22 H16 N4 O5 Zn
• Calculated formula: C22 H16 N4 O5 Zn
• Title of publication: Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate
• Authors of publication: Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4357
• a: 17.55 ± 0.004 Å
• b: 12.839 ± 0.003 Å
• c: 18.15 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4089.6 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No