Information card for entry 4321093

Structure parameters

• Formula: C18 H26 N4 O2
• Calculated formula: C18 H24 N4 O2
• SMILES: O=[N](C(C)(C)C)c1cc(ncc1)c1nccc([N](=O)C(C)(C)C)c1
• Title of publication: Molecular Structures and Magnetic Properties of the Mixed-Ligand Complexes of Bis(hexafluoroacetylacetonato)manganese(II), -copper(II), and -zinc(II) with 4,4'-Bis(N-tert-butyl-N-oxylamino)-2,2'-bipyridine. Isosceles Triangular Hetero-Three-Spin Systems Consisting of Aminoxyls and Metal Ions
• Authors of publication: Akira Sakane; Harumi Kumada; Satoru Karasawa; Noboru Koga; Hiizu Iwamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2891 - 2896
• a: 8.349 ± 0.002 Å
• b: 9.068 ± 0.002 Å
• c: 6.7 ± 0.001 Å
• α: 108.29 ± 0.02°
• β: 109.18 ± 0.02°
• γ: 100.57 ± 0.02°
• Cell volume: 431 ± 0.2 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No