Information card for entry 7038946

Structure parameters

• Formula: C96 H74 Er2 N4 O12
• Calculated formula: C96 H74 Er2 N4 O12
• SMILES: c12C=[N](c3ccc(OCC)cc3)[Er]3456([O]=C(c7ccccc7)C=C(O3)c3ccccc3)([n]2c2c(cccc2cc1)[O]4[Er]1234([n]7c8c(cccc8ccc7C=[N]1c1ccc(OCC)cc1)[O]52)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)c1ccccc1
• Title of publication: Structures and magnetic properties of several phenoxo-O bridged dinuclear lanthanide complexes: Dy derivatives displaying substituent dependent magnetic relaxation behavior.
• Authors of publication: Wang, Wen-Min; Qiao, Wan-Zhen; Zhang, Hong-Xia; Wang, Shi-Yu; Nie, Yao-Yao; Chen, Hong-Man; Liu, Zhen; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8182 - 8191
• a: 11.6297 ± 0.0014 Å
• b: 17.1807 ± 0.0019 Å
• c: 19.908 ± 0.002 Å
• α: 90°
• β: 103.388 ± 0.002°
• γ: 90°
• Cell volume: 3869.6 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No