Information card for entry 7704121

Structure parameters

• Formula: C28 H40 Cu F12 N4 O6
• Calculated formula: C28 H40 Cu F12 N4 O6
• SMILES: [Cu]12([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)([NH2]C1CC([N](=O)C(C)(C1)C)(C)C)[NH2]C1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)₂ (M = Cu^II, Co^II) and Nd(hfac)₃ complexes of 4-amino-TEMPO.
• Authors of publication: Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6280 - 6294
• a: 12.0543 ± 0.0003 Å
• b: 11.8676 ± 0.0003 Å
• c: 12.4149 ± 0.0003 Å
• α: 90°
• β: 98.794 ± 0.001°
• γ: 90°
• Cell volume: 1755.14 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No