Information card for entry 4340975

Structure parameters

• Formula: C90 H46 Cl20 Ho2 N4 Ni2 O20
• Calculated formula: C90 H46 Cl20 Ho2 N4 Ni2 O20
• SMILES: c1cccc2c3cccc[n]3[Ni]34([n]12)[O]=C(O[Ho]125([O]=C(O3)c3cc(cc(c3)Cl)Cl)([O]=C(O[Ho]36(OC(=[O][Ni]7([n]8ccccc8c8cccc[n]78)(OC(=[O]3)c3cc(cc(c3)Cl)Cl)[O]=C(O6)c3cc(cc(c3)Cl)Cl)c3cc(cc(c3)Cl)Cl)([O]=C(O2)c2cc(cc(c2)Cl)Cl)(OC(=[O]1)c1cc(cc(c1)Cl)Cl)[O]=C(O5)c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl)OC(c1cc(cc(c1)Cl)Cl)=[O]4)c1cc(Cl)cc(c1)Cl
• Title of publication: Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~
• Authors of publication: Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9785 - 9799
• a: 18.404 ± 0.004 Å
• b: 13.004 ± 0.003 Å
• c: 27.06 ± 0.008 Å
• α: 90°
• β: 130.986 ± 0.019°
• γ: 90°
• Cell volume: 4889 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No