Information card for entry 7202446

Structure parameters

• Formula: C7 H5 Cd K N2 O4
• Calculated formula: C7 H5 Cd K N2 O4
• Title of publication: Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid
• Authors of publication: Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1662
• a: 16.0901 ± 0.0015 Å
• b: 16.0901 ± 0.0015 Å
• c: 6.7807 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1755.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No