Information card for entry 7055404

Structure parameters

• Formula: C18 H21 Er N6 O9
• Calculated formula: C18 H21 Er N6 O9
• Title of publication: Lanthanide-based coordination compounds assembled by 4-(4-carboxyphenyl)-1,2,4-triazole: synthesis, structures, Hirshfeld surface and luminescence properties
• Authors of publication: Liu, Qing-Ling; Yang, Li-Jing; Luo, Yang-Hui; Sun, Baiwang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3892 - 3898
• a: 21.171 ± 0.004 Å
• b: 14.704 ± 0.003 Å
• c: 10.024 ± 0.002 Å
• α: 90°
• β: 96.03 ± 0.03°
• γ: 90°
• Cell volume: 3103.2 ± 1.1 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: 0.1321
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No