Information card for entry 7056245

Structure parameters

• Formula: C58 H74 B2 Cl0 Cu Dy Fe2 N21 O10
• Calculated formula: C58 H74 B2 Cu Dy Fe2 N21 O10
• SMILES: [Dy]1234([O]5[Cu]67[N](=Cc8c5c(ccc8)[O]1C)[C@@H]1CCCC[C@H]1[N]6=Cc1cccc(c1[O]37)[O]4C)(ON(=O)=[O]2)([OH2])([OH2])[OH2].[Fe]12(C#N)(C#N)(C#N)[n]3c(cc(C)n3[BH](n3c(cc(C)[n]13)C)n1c(cc(C)[n]21)C)C.[BH]12n3c(cc(C)[n]3[Fe](C#N)(C#N)(C#N)([n]3c(cc(C)n13)C)[n]1c(cc(C)n21)C)C
• Title of publication: Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-
• Authors of publication: Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5988 - 5994
• a: 13.585 ± 0.003 Å
• b: 16.218 ± 0.003 Å
• c: 18.401 ± 0.004 Å
• α: 90°
• β: 103.848 ± 0.004°
• γ: 90°
• Cell volume: 3936.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No