Information card for entry 4131996

Structure parameters

• Formula: C10 H6 N S2
• Calculated formula: C10 H6 N S2
• Title of publication: Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer.
• Authors of publication: Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 11
• Pages of publication: 3846 - 3849
• a: 9.431 ± 0.004 Å
• b: 9.479 ± 0.004 Å
• c: 10.55 ± 0.005 Å
• α: 77.104 ± 0.011°
• β: 86.491 ± 0.011°
• γ: 75.335 ± 0.011°
• Cell volume: 889.4 ± 0.7 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 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: 0.1367
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No