Information card for entry 4321094

Structure parameters

• Formula: C28 H26 Cu F12 N4 O6
• Calculated formula: C28 H26 Cu F12 N4 O6
• SMILES: [Cu]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[n]1c(cc([N](=O)C(C)(C)C)cc1)c1[n]3ccc([N](=O)C(C)(C)C)c1
• Title of publication: Molecular Structures and Magnetic Properties of the Mixed-Ligand Complexes of Bis(hexafluoroacetylacetonato)manganese(II), -copper(II), and -zinc(II) with 4,4'-Bis(N-tert-butyl-N-oxylamino)-2,2'-bipyridine. Isosceles Triangular Hetero-Three-Spin Systems Consisting of Aminoxyls and Metal Ions
• Authors of publication: Akira Sakane; Harumi Kumada; Satoru Karasawa; Noboru Koga; Hiizu Iwamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2891 - 2896
• a: 23.427 ± 0.002 Å
• b: 16.983 ± 0.001 Å
• c: 21.999 ± 0.002 Å
• α: 90°
• β: 128.974 ± 0.004°
• γ: 90°
• Cell volume: 6804.5 ± 1 ų
• Cell temperature: 113.2 K
• Ambient diffraction temperature: 113.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections: 1.934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.934
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No