Information card for entry 4322727

Structure parameters

• Formula: C26 H21 F12 N2 Ni O5
• Calculated formula: C26 H21 F12 N2 Ni O5
• SMILES: [Ni]123([O]=[N](C(c4[n]3cccc4)c3ccccc3)C(C)(C)C)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F
• Title of publication: Stabilization of a Nitroxide with a β-Hydrogen by Metals: Structure and Magnetic Properties of Adducts of N-Oxy-N-tert-butyl-(2-pyridyl)phenylmethanamine with Mn(II), Ni(II), and Co(II) Hexafluoroacetylacetonates
• Authors of publication: Frederick A. Villamena; Michael H. Dickman; DeLanson R. Crist
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1454 - 1457
• a: 7.8621 ± 0.0005 Å
• b: 11.3534 ± 0.0007 Å
• c: 17.4228 ± 0.001 Å
• α: 93.583 ± 0.001°
• β: 101.12 ± 0.001°
• γ: 100.154 ± 0.001°
• Cell volume: 1494.57 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.1187
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No