Information card for entry 4310533

Structure parameters

• Formula: C64 H52 Cu3 F36 N8 O16
• Calculated formula: C64 H52 Cu3 F36 N8 O16
• SMILES: C1=C(O[Cu]2([O]=C1C(F)(F)F)(ON1C(C(N(=C1c1c[n](n(c1)C)[Cu]13([n]4n(cc(C5N(C(C(N=5=O)(C)C)(C)C)O[Cu]56([O]=C(C(F)(F)F)C=C(O5)C(F)(F)F)OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)c4)C)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O1)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)=O)(C)C)(C)C)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F.c1ccccc1.c1ccccc1
• 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: 12.397 ± 0.003 Å
• b: 13.742 ± 0.003 Å
• c: 14.988 ± 0.003 Å
• α: 95.69 ± 0.03°
• β: 105.77 ± 0.03°
• γ: 114.51 ± 0.03°
• Cell volume: 2169.4 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No