Information card for entry 4318905

Structure parameters

• Common name: 99219
• Formula: C42 H48 Cl4 Cu2 N4
• Calculated formula: C42 H48 Cl4 Cu2 N4
• SMILES: CC1=[N](c2c(cccc2C)C)[Cu]2(N(C(=C1Cl)C)c1c(cccc1C)C)[Cl][Cu]1(N(C(=C(C(=[N]1c1c(cccc1C)C)C)Cl)C)c1c(cccc1C)C)[Cl]2
• 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: 18.9825 ± 0.0005 Å
• b: 11.6252 ± 0.0002 Å
• c: 20.3111 ± 0.0005 Å
• α: 90°
• β: 114.659 ± 0.001°
• γ: 90°
• Cell volume: 4073.42 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No