Information card for entry 1529410

Structure parameters

• Chemical name: [(TPyA)2 Co2 (NMePh)L2-] 2BArF
• Formula: C134 H76 B2 Co2 F48 N12
• Calculated formula: C134 H90 B2 Co2 F48 N12
• Title of publication: A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling
• Authors of publication: DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6639
• a: 14.8476 ± 0.0004 Å
• b: 15.9017 ± 0.0004 Å
• c: 18.21 ± 0.0005 Å
• α: 75.56 ± 0.002°
• β: 67.648 ± 0.002°
• γ: 68.82 ± 0.002°
• Cell volume: 3676.39 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 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: 0.0934
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No