Information card for entry 7060057

Structure parameters

• Formula: C22 H28 Er N3 O7
• Calculated formula: C22 H28 Er N3 O7
• Title of publication: Solvent-induced single-molecule magnet behavior and near-infrared luminescence properties of rare earth complexes
• Authors of publication: Zhang, Xue-Mei; Duan, Yao-Yao; Gao, Hong-Ling; Cui, Jian-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19135 - 19143
• a: 11.312 ± 0.002 Å
• b: 14.684 ± 0.003 Å
• c: 15.527 ± 0.003 Å
• α: 90°
• β: 110.12 ± 0.03°
• γ: 90°
• Cell volume: 2421.7 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No