Information card for entry 7118934

Structure parameters

• Common name: (NIT-2-Pm)Co(hfac)2
• Formula: C21 H19 Co F12 N4 O6
• Calculated formula: C21 H19 Co F12 N4 O6
• SMILES: [Co]123(ON4C(=N(=O)C(C4(C)C)(C)C)c4[n]3cccn4)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[O]=C(C=C(O2)C(F)(F)F)C(F)(F)F
• Title of publication: Syntheses and magnetic properties of a pyrimidyl-substituted nitronyl nitroxide radical and its cobalt(ii) complexes.
• Authors of publication: Wang, Jian; Li, Jia-Nan; Zhang, Shao-Liang; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 28
• Pages of publication: 5033 - 5036
• a: 14.967 ± 0.003 Å
• b: 15.106 ± 0.003 Å
• c: 15.938 ± 0.003 Å
• α: 69.812 ± 0.002°
• β: 62.763 ± 0.002°
• γ: 66.38 ± 0.002°
• Cell volume: 2877.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.2769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No