Information card for entry 4343017

Structure parameters

• Common name: Co4-TEA(S)
• Formula: C96 H94 Co4 N7 O12
• Calculated formula: C96 H94 Co4 N7 O12
• SMILES: c12ccccc1C=[N]1[C@H](C[O]3[Co]45([O]6[Co]713(O2)Oc1ccccc1C=[N]7[C@H](C6)c1ccccc1)([O]1C[C@@H]([N]2=Cc3c(cccc3)O[Co]3612[N](=Cc1c(O3)cccc1)[C@H](C[O]46)c1ccccc1)c1ccccc1)[O]1C[C@@H]([N]2=Cc3c(cccc3)O[Co]3412[N](=Cc1c(O3)cccc1)[C@H](C[O]54)c1ccccc1)c1ccccc1)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: 21.652 ± 0.007 Å
• b: 21.652 ± 0.007 Å
• c: 21.652 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10151 ± 6 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: 0.0974
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No