Information card for entry 7057314

Structure parameters

• Formula: C28 H53 Cu2 F6 N5 O7 S2
• Calculated formula: C28 H53 Cu2 F6 N5 O7 S2
• 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: 14.4829 ± 0.0004 Å
• b: 14.68 ± 0.0003 Å
• c: 18.7395 ± 0.0005 Å
• α: 90°
• β: 107.688 ± 0.003°
• γ: 90°
• Cell volume: 3795.83 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No