Information card for entry 4321697

Structure parameters

• Formula: C30 H38 Ce Cu2 N9 O13
• Calculated formula: C30 H38 Ce Cu2 N9 O13
• SMILES: [Ce]1234567([O](N(=[O]5)=O)[Cu]589[O]1c1ccccc1C=[N]5C(C[N]8=C(C(=[N]9O2)C)C)(C)C)([O](N(=[O]6)=O)[Cu]125[O]3c3ccccc3C=[N]1C(C[N]2=C(C(=[N]5O4)C)C)(C)C)[O]=N(=O)O7
• 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: 11.2255 ± 0.0018 Å
• b: 16.927 ± 0.003 Å
• c: 11.0096 ± 0.0018 Å
• α: 108.67 ± 0.02°
• β: 110.482 ± 0.013°
• γ: 92.35 ± 0.019°
• Cell volume: 1828.8 ± 0.6 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: 0.0369
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No