Information card for entry 7131143

Structure parameters

• Formula: C18 H27 B2 Co F8 N12 P S
• Calculated formula: C18 H27 B2 Co F8 N12 P S
• Title of publication: Pushing up the easy-axis magnetic anisotropy and relaxation times in trigonal prismatic Co^II mononuclear SMMs by molecular structure design.
• Authors of publication: Landart-Gereka, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Díaz-Ortega, Ismael F; Nojiri, Hiroyuki; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 7
• Pages of publication: 952 - 955
• a: 9.9868 ± 0.0004 Å
• b: 9.9868 ± 0.0004 Å
• c: 16.0438 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1385.77 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No