Information card for entry 7039062

Structure parameters

• Formula: C57 H34 Mn3 N12 O26
• Calculated formula: C57 H34 Mn3 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: 15.8891 ± 0.0019 Å
• b: 16.737 ± 0.002 Å
• c: 22.006 ± 0.003 Å
• α: 90°
• β: 90.2715 ± 0.0008°
• γ: 90°
• Cell volume: 5852.1 ± 1.3 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: 0.0657
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No