Information card for entry 8106998

Structure parameters

• Formula: C36 H33 Er N4 O16
• Calculated formula: C36 H33 Er N4 O16
• Title of publication: Crystal structure of poly[(5-carboxy-2,6-dimethylpyridinium-3-carboxylato-κO)tris(μ2-2,6-dimethylpyridinium-3,5-dicarboxylato-κ3 O,O′:O′′)erbium(III)], C36H33ErN4O16
• Authors of publication: Wang, Xiao-Ning; Li, Fei-Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 759 - 761
• a: 13.828 ± 0.003 Å
• b: 15.892 ± 0.003 Å
• c: 15.634 ± 0.003 Å
• α: 90°
• β: 95.687 ± 0.002°
• γ: 90°
• Cell volume: 3418.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No