Information card for entry 7704125

Structure parameters

• Formula: C76 H84 Cu4 F48 N8 O20
• Calculated formula: C76 H84 Cu4 F48 N8 O20
• SMILES: [Cu]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O]3
• 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: 18.3236 ± 0.0005 Å
• b: 18.3236 ± 0.0005 Å
• c: 15.2023 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5104.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No