Information card for entry 7042427

Structure parameters

• Formula: C118.5 H99 Cl Er4 N13 O16
• Calculated formula: C118.5 H99 Cl Er4 N13 O16
• Title of publication: A Dy4 single-molecule magnet and its Gd(iii), Tb(iii), Ho(iii), and Er(iii) analogues encapsulated by an 8-hydroxyquinoline Schiff base derivative and β-diketonate coligand.
• Authors of publication: Gao, Hong-Ling; Zhou, Xiao-Pu; Bi, Yan-Xia; Shen, Hai-Yun; Wang, Wen-Min; Wang, Ni-Ni; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4669 - 4677
• a: 30.4688 ± 0.0019 Å
• b: 14.5825 ± 0.0006 Å
• c: 28.1141 ± 0.0017 Å
• α: 90°
• β: 118.165 ± 0.011°
• γ: 90°
• Cell volume: 11012.3 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No