Information card for entry 7712953

Structure parameters

• Formula: C34 H22 Cl2 Co F12 N2 O4
• Calculated formula: C34 H22 Cl2 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: 9.1173 ± 0.0009 Å
• b: 14.4277 ± 0.0013 Å
• c: 14.3485 ± 0.0014 Å
• α: 90°
• β: 107.966 ± 0.003°
• γ: 90°
• Cell volume: 1795.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0508
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No