Information card for entry 7062189

Structure parameters

• Formula: C51 H38 Er2 N2 O17
• Calculated formula: C51 H38 Er2 N2 O17
• Title of publication: Synthesis, structure analysis and catalytic activity of two Ln-coordination polymers containing benzophenone-4,4′-dicarboxylate linker
• Authors of publication: Hajiashrafi, Taraneh; Sheikholeslami, Mohaddeseh; Arjanaki, Maryam Ahmadi; Tarighi, Sara; Guo, Zhifang; Junk, Peter C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 2230 - 2239
• a: 9.3025 ± 0.0013 Å
• b: 9.3025 ± 0.0013 Å
• c: 54.665 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4730.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No