Information card for entry 7251647

Structure parameters

• Formula: C63 H85 F18 N8 Nd O12 P2
• Calculated formula: C63 H85 F18 N8 Nd O12 P2
• Title of publication: Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII , NdIII , EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols
• Authors of publication: Navarro, Yolanda; Soriano, Stephane Serge Yves Jerome; Silva Junior, Henrique C.; Iglesias, María José; Guedes, Guilherme P.; López-Ortiz, Fernando
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 19.445 ± 0.0005 Å
• b: 23.4941 ± 0.0004 Å
• c: 17.6409 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8059.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No