Information card for entry 7215014

Structure parameters

• Formula: C22 H28 Cd N4 O5
• Calculated formula: C22 H26 Cd N4 O5.5
• Title of publication: Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands
• Authors of publication: Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4745
• a: 20.517 ± 0.0017 Å
• b: 10.5876 ± 0.0009 Å
• c: 21.9335 ± 0.0018 Å
• α: 90°
• β: 105.419 ± 0.001°
• γ: 90°
• Cell volume: 4593 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No