Information card for entry 7033203

Structure parameters

• Formula: C8 H2 Au N4 S4
• Calculated formula: C8 H2 Au N4 S4
• SMILES: c1c2SN=[S+]c2cc2S[N]Sc12.N#C[Au]C#N
• Title of publication: Ferromagnetic ordering in the organic radical cation salt BBDTA·Au(CN)2 at 8.2 K.
• Authors of publication: Fujita, Wataru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 903 - 907
• a: 14.156 ± 0.008 Å
• b: 15.315 ± 0.009 Å
• c: 5.219 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1131.5 ± 1.1 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No