Information card for entry 7038945

Structure parameters

• Formula: C96 H74 N4 O12 Tb2
• Calculated formula: C96 H74 N4 O12 Tb2
• SMILES: c12[n]3[Tb]456([N](=C1)c1ccc(OCC)cc1)(OC(=CC(=[O]5)c1ccccc1)c1ccccc1)([O](c1c3c(ccc1)cc2)[Tb]1235([n]7c8c(cccc8ccc7C=[N]1c1ccc(OCC)cc1)[O]42)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)OC(=CC(=[O]5)c1ccccc1)c1ccccc1)OC(=CC(=[O]6)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: 11.4739 ± 0.0019 Å
• b: 17.081 ± 0.003 Å
• c: 21.323 ± 0.003 Å
• α: 90°
• β: 110.668 ± 0.007°
• γ: 90°
• Cell volume: 3910 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.1011
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No