Information card for entry 7059601

Structure parameters

• Formula: C110 H100 Cl6 Gd3 N6 O20
• Calculated formula: C105 H86 Gd3 N6 O18
• SMILES: [Gd]123456(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)[O]1[Gd]789%10([O]=C(C=C(O7)c7ccccc7)c7ccccc7)([O]=C(c7ccccc7)C=C(O8)c7ccccc7)[O]2=C(N[N]4=Cc2ccccc2[O]5[Gd]2457(OC(=CC(=[O]2)c2ccccc2)c2ccccc2)(OC(=CC(=[O]4)c2ccccc2)c2ccccc2)[O]3=C(N[N]6=Cc2c1cccc2)c1[n]5c(CO7)ccc1)c1[n]%10c(CO9)ccc1.OC.OC
• Title of publication: Construction of a family of Ln3 clusters using multidentate Schiff base and β-diketonate ligands: fluorescence properties, magnetocaloric effect and slow magnetic relaxation
• Authors of publication: Wang, Wen-Min; Gao, Yu; Yue, Rong-Xin; Qiao, Na; Wang, Dan-Tong; Shi, Ying; Zhang, Huan; Cui, Jian-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 9230 - 9237
• a: 16.9051 ± 0.0011 Å
• b: 26.5476 ± 0.0018 Å
• c: 24.844 ± 0.002 Å
• α: 90°
• β: 94.078 ± 0.003°
• γ: 90°
• Cell volume: 11121.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No