Information card for entry 2019713

Structure parameters

• Chemical name: Poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]
• Formula: C22 H17 Cd N5 O6
• Calculated formula: C22 H17 Cd N5 O6
• Title of publication: A twofold interpenetrating three-dimensional Cd^II^ coordination framework: poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]
• Authors of publication: Li, Le; Tao, Jian-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• a: 11.8377 ± 0.0014 Å
• b: 18.664 ± 0.002 Å
• c: 9.8566 ± 0.0011 Å
• α: 90°
• β: 96.374 ± 0.002°
• γ: 90°
• Cell volume: 2164.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes