Information card for entry 4309583

Structure parameters

• Common name: MB4147
• Formula: C25 H19 Cu F12 N2 O5
• Calculated formula: C25 H19 Cu F12 N2 O5
• Title of publication: Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications
• Authors of publication: Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6725 - 6735
• a: 10.359 ± 0.0001 Å
• b: 10.404 ± 0.0001 Å
• c: 14.887 ± 0.0002 Å
• α: 91.856 ± 0.001°
• β: 94.65 ± 0.001°
• γ: 113.865 ± 0.001°
• Cell volume: 1458.69 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No