Information card for entry 7056240

Structure parameters

• Formula: C58 H74 B2 Cu Fe2 Gd N21 O10
• Calculated formula: C58 H74 B2 Cu Fe2 Gd N21 O10
• SMILES: [Gd]1234([O]5[Cu]67[O]3c3c([O]1C)cccc3C=[N]6[C@H]1CCCC[C@@H]1[N]7=Cc1cccc(c15)[O]2C)([OH2])([OH2])([OH2])ON(=[O]4)=O.[Fe]12([n]3n(c(C)cc3C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#N)(C#N)C#N.[Fe]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#N)(C#N)C#N
• 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: 13.5975 ± 0.0011 Å
• b: 16.1208 ± 0.0013 Å
• c: 17.9767 ± 0.0015 Å
• α: 90°
• β: 103.432 ± 0.001°
• γ: 90°
• Cell volume: 3832.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No