Information card for entry 7039063

Structure parameters

• Formula: C57 H34 Cd3 N12 O26
• Calculated formula: C57 H34 Cd3 N12 O26
• Title of publication: Synthesis, structure, and magnetic and catalytic properties of metal frameworks with 2,2'-dinitro-4,4'-biphenyldicarboxylate and imidazole-containing tripodal ligands.
• Authors of publication: Li, Yu-Ling; Zhao, Dan; Zhao, Yue; Wang, Peng; Wang, Huai-Wei; Sun, Wei-Yin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8816 - 8823
• a: 16.033 ± 0.005 Å
• b: 16.586 ± 0.005 Å
• c: 22.266 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.444 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5921 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No