Information card for entry 4343016

Structure parameters

• Common name: Co4-TEA(R)
• Formula: C96 H94 Co4 N7 O12
• Calculated formula: C96 H94 Co4 N7 O12
• SMILES: c12ccccc1C=[N]1[C@H](c3ccccc3)C[O]3[Co]451(O2)[O](C[C@H]([N]5=Cc1c(O4)cccc1)c1ccccc1)[Co]123([O]3C[C@H]([N]4=Cc5c(O[Co]6734[N](=Cc3c(cccc3)O6)[C@H](c3ccccc3)C[O]17)cccc5)c1ccccc1)[O]1C[C@H]([N]3=Cc4c(O[Co]5613[N](=Cc1c(cccc1)O5)[C@H](c1ccccc1)C[O]26)cccc4)c1ccccc1.C(C)[NH+](CC)CC
• Title of publication: A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.
• Authors of publication: Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5475 - 5486
• a: 21.693 ± 0.004 Å
• b: 21.693 ± 0.004 Å
• c: 21.693 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10208 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No