Information card for entry 4348782

Structure parameters

• Formula: C51 H38 F36 N2 O16 P Tb2
• Calculated formula: C51 H38 F36 N2 O16 P Tb2
• SMILES: [Tb]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=P(NC1CC(N(O[Tb]456(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)([OH2])(OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O5)C(F)(F)F)C(F)(F)F)C(C)(C1)C)(C)C)(c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([OH2])OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.
• Authors of publication: Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11676 - 11684
• a: 33.039 ± 0.0016 Å
• b: 12.7209 ± 0.0005 Å
• c: 38.326 ± 0.002 Å
• α: 90°
• β: 109.627 ± 0.006°
• γ: 90°
• Cell volume: 15172 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No