Information card for entry 7120177

Structure parameters

• Formula: C34 H32 Br Co2 F18 N4 O9
• Calculated formula: C34 H32 Br Co2 F18 N4 O9
• 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: 12.8538 ± 0.0006 Å
• b: 12.8545 ± 0.0005 Å
• c: 14.0294 ± 0.0006 Å
• α: 92.824 ± 0.002°
• β: 92.716 ± 0.002°
• γ: 92.592 ± 0.002°
• Cell volume: 2310.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.199
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No