Information card for entry 4343023

Structure parameters

• Common name: Co4-NO2-TBAB(R)
• Formula: C115 H129 Co4 N16 O27
• Calculated formula: C115 H129 Co4 N16 O27
• SMILES: [Co]123([O]4[Co]567([N](=Cc8c(ccc(c8)N(=O)=O)O5)[C@@H](C4)c4ccccc4)[N](=Cc4c(ccc(c4)N(=O)=O)O6)[C@@H](C[O]17)c1ccccc1)([O]1[Co]456([N](=Cc7c(ccc(c7)N(=O)=O)O4)[C@@H](C1)c1ccccc1)[N](=Cc1c(ccc(c1)N(=O)=O)O5)[C@@H](C[O]26)c1ccccc1)[O]1[Co]245([N](=Cc6c(ccc(c6)N(=O)=O)O2)[C@@H](C1)c1ccccc1)[N](=Cc1c(ccc(c1)N(=O)=O)O4)[C@@H](C[O]35)c1ccccc1.C(CCC)[N+](CCCC)(CCCC)CCCC.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• 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: 19.547 ± 0.004 Å
• b: 19.704 ± 0.004 Å
• c: 29.635 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11414 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No