Information card for entry 7057311

Structure parameters

• Formula: C21 H40 Cu F3 N6 O4 S
• Calculated formula: C21 H40 Cu F3 N6 O4 S
• Title of publication: Ligand and electronic effects on copper‒arylnitroso self-assembly
• Authors of publication: Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7758
• a: 8.7738 ± 0.0011 Å
• b: 25.446 ± 0.003 Å
• c: 12.7528 ± 0.0015 Å
• α: 90°
• β: 105.723 ± 0.007°
• γ: 90°
• Cell volume: 2740.6 ± 0.6 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No