Information card for entry 4349069

Structure parameters

• Formula: C59 H58 Mn2 N2 O16
• Calculated formula: C59 H56 Mn2 N2 O16
• Title of publication: 3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties
• Authors of publication: Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 406
• a: 15.338 ± 0.003 Å
• b: 22.1 ± 0.004 Å
• c: 16.425 ± 0.003 Å
• α: 90°
• β: 102.64 ± 0.03°
• γ: 90°
• Cell volume: 5432.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No