Information card for entry 7057892

Structure parameters

• Formula: C38 H39 B Cu F4 N5 O2.3
• Calculated formula: C38 H39 B Cu F4 N5 O2.3
• Title of publication: Structure and catalytic properties of novel copper isatin Schiff base complexes
• Authors of publication: Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 188
• a: 12.8485 ± 0.0003 Å
• b: 14.2133 ± 0.0003 Å
• c: 21.2613 ± 0.0005 Å
• α: 90°
• β: 106.297 ± 0.002°
• γ: 90°
• Cell volume: 3726.72 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No