Information card for entry 4313225

Structure parameters

• Formula: C78 H76 Cl3 Cu4 Gd N16 O24
• Calculated formula: C78 H67 Cl3 Cu4 Gd N16 O24
• SMILES: [Gd]1234(OC5=[N]6[Cu]78[N](=C5O1)c1ccccc1C=[N]7CCC[N]8=Cc1ccccc61)(OC1C(=[N]5[Cu]67([N]=1c1c(C=[N]7CCC[N]6=Cc6c5cccc6)cccc1)[OH]C)O2)(OC1=[N]2[Cu]56[N](=C1O3)c1ccccc1C=[N]5CCC[N]6=Cc1ccccc21)(OC1C(=[N]2c3ccccc3C=[N]3[Cu]52[N]=1c1c(C=[N]5CCC3)cccc1)O4)[OH2].CO.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: A Ferromagnetically Coupled CrCu3 Tetramer and GdCu4 Pentamer with a [15]N4 Macrocylic Ligand Incorporating an Oxamido Bridge
• Authors of publication: Lei Zhang; Shi-Bin Wang; Guang-Ming Yang; Jin-kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Peng Cheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1462 - 1466
• a: 14.805 ± 0.004 Å
• b: 16.882 ± 0.005 Å
• c: 17.877 ± 0.005 Å
• α: 75.403 ± 0.005°
• β: 83.317 ± 0.006°
• γ: 70.6 ± 0.005°
• Cell volume: 4076 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No