Information card for entry 4310536

Structure parameters

• Formula: C60 H58 Cu3 F36 N8 O16
• Calculated formula: C60 H58 Cu3 F36 N8 O16
• SMILES: C(C1=CC(C(F)(F)F)=[O][Cu]2([n]3n(cc(C4N(C(C(N=4=O)(C)C)(C)C)O[Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O5)C(F)(F)F)c3)C)([n]3n(cc(C4N(C(C(N=4=O)(C)C)(C)C)O[Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O5)C(F)(F)F)c3)C)(O1)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)(F)(F)F.CCCCCCC
• Title of publication: Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System
• Authors of publication: Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 969 - 977
• a: 12.462 ± 0.003 Å
• b: 13.527 ± 0.003 Å
• c: 14.963 ± 0.003 Å
• α: 96.9 ± 0.03°
• β: 104.2 ± 0.03°
• γ: 115.9 ± 0.03°
• Cell volume: 2123.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No