Information card for entry 4321696

Structure parameters

• Formula: C32 H52 Cu2 Gd N9 O20
• Calculated formula: C32 H52 Cu2 Gd N9 O20
• SMILES: [Gd]12345([O]6c7c([O]1C)cccc7C=[N]1[Cu]76([N](=C(C(=[N]7O2)C)C)CC1(C)C)[OH2])([O]1[Cu]26([N](=Cc7c1c([O]3C)ccc7)C(C[N]2=C(C(=[N]6O4)C)C)(C)C)[OH2])([O]=N(=O)O5)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Is Ferromagnetism an Intrinsic Property of the CuII/GdIII Couple? 2. Structures and Magnetic Properties of Novel Trinuclear Complexes with μ-Phenolato-μ-oximato (Cu-Ln-Cu) Cores (Ln = La, Ce, Gd)
• Authors of publication: Jean-Pierre Costes; Françoise Dahan; Arnaud Dupuis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5994 - 6000
• a: 14.0054 ± 0.0019 Å
• b: 14.7581 ± 0.0013 Å
• c: 11.3549 ± 0.0013 Å
• α: 96.273 ± 0.009°
• β: 97.648 ± 0.011°
• γ: 72.946 ± 0.009°
• Cell volume: 2217.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No