Information card for entry 7712952

Structure parameters

• Formula: C24 H20 Co F12 N2 O4
• Calculated formula: C24 H20 Co F12 N2 O4
• Title of publication: Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism
• Authors of publication: Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.9911 ± 0.0018 Å
• b: 9.202 ± 0.002 Å
• c: 20.709 ± 0.005 Å
• α: 90°
• β: 100.335 ± 0.004°
• γ: 90°
• Cell volume: 1498.1 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0645
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No