Information card for entry 7038943

Structure parameters

• Formula: C94 H70 Er2 N4 O12
• Calculated formula: C94 H70 Er2 N4 O12
• SMILES: c12c3cccc1ccc1[n]2[Er]245([N](=C1)c1ccc(OC)cc1)([O]3[Er]1367([n]8c9c(cccc9ccc8C=[N]1c1ccc(OC)cc1)[O]23)(OC(=CC(=[O]7)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O6)c1ccccc1)([O]=C(C=C(O4)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O5)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: 31.609 ± 0.007 Å
• b: 12.151 ± 0.002 Å
• c: 22.98 ± 0.005 Å
• α: 90°
• β: 121.9 ± 0.004°
• γ: 90°
• Cell volume: 7493 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0958
• 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