Information card for entry 4310534

Structure parameters

• Formula: C66 H56 Cu3 F36 N8 O16
• Calculated formula: C66 H56 Cu3 F36 N8 O16
• SMILES: 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)OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)C(F)(F)F.Cc1ccccc1.Cc1ccccc1
• 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: 12.383 ± 0.003 Å
• b: 13.824 ± 0.003 Å
• c: 15.057 ± 0.003 Å
• α: 95.2 ± 0.03°
• β: 106.85 ± 0.03°
• γ: 113.14 ± 0.03°
• Cell volume: 2206.3 ± 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: 0.1021
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No