Information card for entry 4340914

Structure parameters

• Formula: C10 H14 Cu N4 O7 S
• Calculated formula: C10 H14 Cu N4 O7 S
• SMILES: [Cu]12([NH]=C(C(=NN2c2c(S(=O)(=O)O1)cccc2)C#N)OC)([OH2])[OH2].O
• 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: 31.826 ± 0.004 Å
• b: 31.826 ± 0.004 Å
• c: 7.5966 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6663.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No