Information card for entry 7710747

Structure parameters

• Formula: C22 H16 Cu N4 O4
• Calculated formula: C22 H16 Cu N4 O4
• Title of publication: Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers
• Authors of publication: Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.3182 ± 0.0004 Å
• b: 18.1653 ± 0.0011 Å
• c: 19.1481 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3936.8 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No