Information card for entry 4322957

Structure parameters

• Formula: C22 H34 F6 N4 Ni O6
• Calculated formula: C22 H34 F6 N4 Ni O6
• SMILES: FC(C1=CC2=[N]([Ni]3([N]4=C(C=C(O3)C(F)(F)F)C(C)(C)[N](C4(C)C)=O)(O1)([OH]C)[OH]C)C(C)(C)[N](C2(C)C)=O)(F)F
• Title of publication: Molecular Magnets Based on Nickel(II) Complexes with 3-Imidazoline Nitroxides and Alcohols
• Authors of publication: Vladimir N. Ikorskii; Victor I. Ovcharenko; Yurii G. Shvedenkov; Galina V. Romanenko; Sergei V. Fokin; Renad Z. Sagdeev
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4360 - 4367
• a: 8.929 ± 0.002 Å
• b: 15.773 ± 0.003 Å
• c: 11.518 ± 0.002 Å
• α: 90°
• β: 118.84 ± 0.01°
• γ: 90°
• Cell volume: 1421 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No