Information card for entry 7056547

Structure parameters

• Formula: C46 H52 Er2 O27
• Calculated formula: C46 H38 Er2 O27
• Title of publication: Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid
• Authors of publication: shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 11215 - 11224
• a: 13.538 ± 0.005 Å
• b: 23.892 ± 0.005 Å
• c: 8.482 ± 0.005 Å
• α: 90°
• β: 104.265 ± 0.005°
• γ: 90°
• Cell volume: 2658.9 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No