Information card for entry 1529407

Structure parameters

• Formula: C166 H146 B4 Cr2 N12
• Calculated formula: C166 H146 B4 Cr2 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: 15.3682 ± 0.0007 Å
• b: 15.9908 ± 0.0007 Å
• c: 17.5923 ± 0.001 Å
• α: 72.813 ± 0.003°
• β: 69.832 ± 0.004°
• γ: 68.859 ± 0.003°
• Cell volume: 3712.1 ± 0.3 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No