Information card for entry 4321610

Structure parameters

• Formula: C30 H34 Cu F6 N4 O6
• Calculated formula: C30 H34 Cu F6 N4 O6
• SMILES: C1(C(C)(C)N(=C(N1[Cu](N1C(=N(C(C1(C)C)(C)C)=O)c1ccccc1)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)c1ccccc1)=O)(C)C
• Title of publication: Novel Square Planar Copper(II) Complexes with Imino or Nitronyl Nitroxide Radicals Exhibiting Large Ferro- and Antiferromagnetic Interactions
• Authors of publication: André Cogne; Jean Laugier; Dominique Luneau; Paul Rey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5510 - 5514
• a: 11.059 ± 0.002 Å
• b: 15.289 ± 0.001 Å
• c: 10.694 ± 0.002 Å
• α: 90°
• β: 114.2 ± 0.01°
• γ: 90°
• Cell volume: 1649.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7106 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No