Information card for entry 1529411

Structure parameters

• Chemical name: [(TPyA)2 Cr2 (NMePh)L(3-)] 3(BPh4) 2(CH3CN)
• Formula: C292 H264 B6 Cr4 N28
• Calculated formula: C292 H264 B6 Cr4 N28
• 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: 15.17 ± 0.0006 Å
• b: 15.9112 ± 0.0006 Å
• c: 30.3415 ± 0.0011 Å
• α: 90.924 ± 0.002°
• β: 97.35 ± 0.002°
• γ: 115.288 ± 0.002°
• Cell volume: 6546.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1117
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No