Information card for entry 4340919

Structure parameters

• Formula: C15 H14 Cu N4 O6 S
• Calculated formula: C15 H14 Cu N4 O6 S
• SMILES: C1(=[O][Cu]2(N(c3ccccc3S(=O)(=O)O2)N=C1C#N)([n]1ccccc1)[OH2])OC
• Title of publication: Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.
• Authors of publication: Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9946 - 9958
• a: 16.6413 ± 0.0014 Å
• b: 7.2187 ± 0.0005 Å
• c: 14.3011 ± 0.0009 Å
• α: 90°
• β: 101.914 ± 0.006°
• γ: 90°
• Cell volume: 1681 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No