Information card for entry 4519316

Structure parameters

• Common name: Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2
• Chemical name: 'Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'
• Formula: C62 H44 Cl4 Gd2 N10 O12
• Calculated formula: C62 H44 Cl4 Gd2 N10 O12
• Title of publication: 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.
• Authors of publication: Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2604 - 2612
• a: 12.0936 ± 0.0001 Å
• b: 11.7499 ± 0.0002 Å
• c: 21.6432 ± 0.0003 Å
• α: 90°
• β: 92.625 ± 0.001°
• γ: 90°
• Cell volume: 3072.24 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No