Information card for entry 4114063

Structure parameters

• Common name: [Mn(hfac)2(PyrimPhNIT)]2
• Formula: C48 H36 F24 Mn2 N6 O10
• Calculated formula: C48 H27 F24 Mn2 N6 O10
• Title of publication: Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations
• Authors of publication: Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10110 - 10118
• a: 9.8889 ± 0.0002 Å
• b: 28.9225 ± 0.0006 Å
• c: 21.2731 ± 0.0004 Å
• α: 90°
• β: 78.3397 ± 0.0016°
• γ: 90°
• Cell volume: 5958.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1678
• Residual factor for significantly intense reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.3377
• Weighted residual factors for all reflections included in the refinement: 0.3584
• Goodness-of-fit parameter for all reflections included in the refinement: 2.537
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No