Information card for entry 4343021

Structure parameters

• Common name: Co4-NO2-DIPEA(R)
• Formula: C110 H120 Co4 N17 O28
• Calculated formula: C110 H120 Co4 N17 O28
• 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(C)[NH+](C(C)C)C(C)C.C(=O)N(C)C.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: 12.583 ± 0.003 Å
• b: 19.12 ± 0.004 Å
• c: 45.556 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10960 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: SynchrotronRadiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No