Information card for entry 7038944

Structure parameters

• Formula: C96 H74 Ho2 N4 O12
• Calculated formula: C96 H74 Ho2 N4 O12
• SMILES: c12[n]3[Ho]456([N](=C1)c1ccc(OCC)cc1)(OC(=CC(=[O]4)c1ccccc1)c1ccccc1)([O](c1c3c(ccc1)cc2)[Ho]1234([n]7c8c(cccc8ccc7C=[N]1c1ccc(OCC)cc1)[O]52)(OC(=CC(=[O]3)c1ccccc1)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: 11.4279 ± 0.0013 Å
• b: 17.0871 ± 0.0017 Å
• c: 20.256 ± 0.002 Å
• α: 90°
• β: 100.838 ± 0.003°
• γ: 90°
• Cell volume: 3884.8 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No