Information card for entry 1565710

Structure parameters

• Formula: C76 H58 Er2 O14
• Calculated formula: C76 H58 Er2 O14
• SMILES: [Er]12345([O]=Cc6cccc7[O]([Er]89%10([O]1c67)([O]3c1c(C=[O]8)cccc1[O]2C)(OC(=CC(=[O]9)c1ccccc1)c1ccccc1)OC(=CC(=[O]%10)c1ccccc1)c1ccccc1)C)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=C(c1ccccc1)C=C(O5)c1ccccc1
• Title of publication: New dinuclear compounds of dysprosium and erbium constructed by an O-vanillin ligand and β-diketonate coligand: Synthesis, near-Infrared luminescent and magnetism
• Authors of publication: Duan, Yao-Yao; Wu, Dong-Fang; Chen, Huan-Huan; Wang, Yun-Juan; Li, Ling; Gao, Hong-Ling; Cui, Jian-Zhong
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 499
• Pages of publication: 119203
• a: 13.42 ± 0.003 Å
• b: 17.024 ± 0.003 Å
• c: 17.067 ± 0.003 Å
• α: 71.46 ± 0.03°
• β: 67.42 ± 0.03°
• γ: 89.4 ± 0.03°
• Cell volume: 3385.6 ± 1.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No