Information card for entry 7038939

Structure parameters

• Formula: C94 H70 Dy2 N4 O12
• Calculated formula: C94 H70 Dy2 N4 O12
• SMILES: c12c3cccc1ccc1[n]2[Dy]245([O]3[Dy]3678([n]9c%10c(cccc%10ccc9C=[N]3c3ccc(OC)cc3)[O]27)(OC(=CC(=[O]8)c2ccccc2)c2ccccc2)[O]=C(c2ccccc2)C=C(O6)c2ccccc2)(OC(=CC(=[O]5)c2ccccc2)c2ccccc2)([N](=C1)c1ccc(OC)cc1)OC(=CC(=[O]4)c1ccccc1)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: 31.776 ± 0.006 Å
• b: 12.212 ± 0.002 Å
• c: 23.094 ± 0.005 Å
• α: 90°
• β: 122.21 ± 0.03°
• γ: 90°
• Cell volume: 7582 ± 4 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: 0.0645
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No