Information card for entry 1530693

Structure parameters

• Chemical name: [Co(IAd)2][BArF4]
• Formula: C78 H76 B Co F24 N4
• Calculated formula: C78 H76 B Co F24 N4
• SMILES: [Co](=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3)=C1N(C=CN1C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2.FC(F)(F)c1cc(cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes
• Authors of publication: Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7156
• a: 14.0529 ± 0.001 Å
• b: 14.0529 ± 0.001 Å
• c: 18.2643 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3606.9 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No