Information card for entry 4318909

Structure parameters

• Formula: C42 H50 Cu2 N6 O6
• Calculated formula: C42 H50 Cu2 N6 O6
• SMILES: [Cu]12(N(C=C(N(=O)=O)C=[N]2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[OH][Cu]2(N(C=C(N(=O)=O)C=[N]2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[OH]1
• Title of publication: Copper Chemistry of β-Diketiminate Ligands: Monomer/Dimer Equilibria and a New Class of Bis(μ-oxo)dicopper Compounds
• Authors of publication: Douglas J. E. Spencer; Anne M. Reynolds; Patrick L. Holland; Brian A. Jazdzewski; Carole Duboc-Toia; Laurent Le Pape; Seiji Yokota; Yoshimitsu Tachi; Shinobu Itoh; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6307 - 6321
• a: 21.4089 ± 0.0006 Å
• b: 8.0931 ± 0.0002 Å
• c: 24.2109 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4194.9 ± 0.2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No