Information card for entry 4300119

Structure parameters

• Formula: C16 H25 Cu Gd N6 O14
• Calculated formula: C16 H25 Cu Gd N6 O14
• SMILES: [Gd]12345([O]6[Cu]78([N](=Cc9c6c(ccc9)[O]1C)C(C[N]7=C(C(C)=[N]8O2)C)(C)C)[OH2])([OH2])(ON(=[O]3)=O)([O]=N(O4)=O)[O]=N(O5)=O
• Title of publication: Is Ferromagnetism an Intrinsic Property of the CuII/GdIIICouple? 1. Structures and Magnetic Properties of Two Novel Dinuclear Complexes with a μ-Phenolato-μ-Oximato (Cu,Gd) Core
• Authors of publication: Jean-Pierre Costes; Françoise Dahan; Arnaud Dupuis; Jean-Pierre Laurent
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 169 - 173
• a: 12.7246 ± 0.0016 Å
• b: 13.5691 ± 0.0017 Å
• c: 14.531 ± 0.0019 Å
• α: 90°
• β: 94.629 ± 0.016°
• γ: 90°
• Cell volume: 2500.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No