Information card for entry 7057772

Structure parameters

• Chemical name: 3,4?-bipyridine-6,2?-diyl bis(tert-butyl nitroxide)
• Formula: C18 H24 N4 O2
• Calculated formula: C18 H24 N4 O2
• Title of publication: A triplet biradical with double bidentate sites based on tert-butyl pyridyl nitroxide as a candidate for strong ferromagnetic couplers
• Authors of publication: Okazawa, Atsushi; Terakado, Yutaro; Ishida, Takayuki; Kojima, Norimichi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 17874
• a: 13.122 ± 0.005 Å
• b: 7.07 ± 0.003 Å
• c: 18.912 ± 0.008 Å
• α: 90°
• β: 96.986 ± 0.007°
• γ: 90°
• Cell volume: 1741.5 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No