Information card for entry 7120178

Structure parameters

• Formula: C39 H33 Br Co Dy F24 N4 O11
• Calculated formula: C39 H33 Br Co Dy F24 N4 O11
• Title of publication: Chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands
• Authors of publication: Andruh, Marius; Patrascu, Andrei; Calancea, Sergiu; Briganti, Matteo; Soriano, Stephane Serge Yves Gerome; Madalan, Augustin M.; Cassaro, Rafael A. A.; Caneschi, Andrea; Totti, Federico; Vaz, Maria G. F.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 22.9813 ± 0.0008 Å
• b: 12.2926 ± 0.0004 Å
• c: 20.8211 ± 0.0007 Å
• α: 90°
• β: 112.084 ± 0.002°
• γ: 90°
• Cell volume: 5450.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No