Information card for entry 7045262

Structure parameters

• Formula: C28 H64 N8 Ni4 O23 Y2
• Calculated formula: C28 H64 N8 Ni4 O23 Y2
• SMILES: C1(=[O][Y]2345(O1)([O]16C7C[NH2][Ni]81(OC(=O)C)([NH2]CC1C[NH2][Ni]9%10%11([NH2]CC%12C[NH2][Ni]%13%14%15([O]%16%17C(C[NH2][Ni]6%17([NH2]C7)([OH]5%10)[OH]%11[Y]56%16([O]=C(C)O6)([O]=C(C)O5)([O]%15C(=O)C)[O]9%12%13)C[NH2]%14)OC(=O)C)[O]381)[O]4C(=O)C)[O]=C(C)O2)C.O
• Title of publication: Heterometallic hexanuclear Ni₄M₂ (M = Dy, Y) complexes: structure and single-molecule magnet for the Dy(iii) derivative.
• Authors of publication: Pei, Shaomin; Hu, Zhaobo; Chen, Zilu; Yu, Shui; Li, Bo; Liang, Yuning; Liu, Dongcheng; Yao, Di; Liang, Fupei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1801 - 1807
• a: 20.6575 ± 0.001 Å
• b: 12.7612 ± 0.0006 Å
• c: 17.9948 ± 0.0009 Å
• α: 90°
• β: 102.786 ± 0.005°
• γ: 90°
• Cell volume: 4626.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0354
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No