Information card for entry 1544518

Structure parameters

• Formula: C11 H17.91 Cl Cu N7 O6
• Calculated formula: C11 H17.91 Cl Cu N7 O6
• SMILES: [Cu]123[N](=C(C(=N1=O)C)C)CC(N=N#N)C[N]2=C(C(=[N]3O)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework
• Authors of publication: Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent
• Journal of publication: Faraday Discuss.
• Year of publication: 2016
• a: 6.9919 ± 0.0003 Å
• b: 11.5174 ± 0.0004 Å
• c: 20.7014 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1667.05 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No