Information card for entry 4322958

Structure parameters

• Formula: C24 H38 F6 N4 Ni O6
• Calculated formula: C24 H38 F6 N4 Ni O6
• SMILES: [Ni]12([N]3=C(C=C(O2)C(F)(F)F)C(C)(C)[N](C3(C)C)=O)([N]2=C(C=C(O1)C(F)(F)F)C(C)(C)[N](C2(C)C)=O)([OH]CC)[OH]CC
• 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: 9.923 ± 0.005 Å
• b: 15.992 ± 0.005 Å
• c: 11.486 ± 0.005 Å
• α: 90 ± 0.03°
• β: 120.63 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1568.4 ± 1.3 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: 0.0924
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No