Information card for entry 7001899

Structure parameters

• Common name: bis-4-pyridil-nitronylnitroxide-bis-2-phenyl- trifluoroacetylacetonate-copper
• Chemical name: bis-4-pyridil-nitronylnitroxide-bis-2-phenyl-trifluoroacetylacetonate-copper
• Formula: C32 H28 Cu F6 N3 O6
• Calculated formula: C32 H28 Cu F6 N3 O6
• Title of publication: New copper(II)-radical one dimensional chain: Synthesis, crystal structure, EPR, magnetic properties and DFT calculations
• Authors of publication: Souza, Denise A.; Florencio, Antonio S.; Soriano, Stéphane; Calvo, Rafael; Sartoris, Rosana P.; Walkimar de M. Carneiro, José; Sangregorio, Claudio; Novak, Miguel A.; Vaz, Maria G. F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6816 - 6824
• a: 10.367 ± 0.002 Å
• b: 11.273 ± 0.002 Å
• c: 14.707 ± 0.003 Å
• α: 75.84 ± 0.03°
• β: 85.05 ± 0.03°
• γ: 85.44 ± 0.03°
• Cell volume: 1657.3 ± 0.6 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: 0.1138
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No