Information card for entry 4118764

Structure parameters

• Formula: C10 H10 Au N2 S4 Se4
• Calculated formula: C10 H10 Au N2 S4 Se4
• SMILES: [Au]12([Se]C3=C(SC(=S)N3CC)[Se]1)[Se]C1=C(N(C(=S)S1)CC)[Se]2
• Title of publication: Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes
• Authors of publication: Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17138 - 17148
• a: 14.5116 ± 0.0005 Å
• b: 4.0984 ± 0.0003 Å
• c: 14.3554 ± 0.0005 Å
• α: 90°
• β: 92.613 ± 0.004°
• γ: 90°
• Cell volume: 852.89 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No