Information card for entry 4118763

Structure parameters

• Formula: C10 H10 Au N2 O2 S2 Se4
• Calculated formula: C10 H10 Au N2 O2 S2 Se4
• SMILES: C12N(C(=O)SC=2[Se][Au]2([Se]1)[Se]C1=C(N(C(=O)S1)CC)[Se]2)CC
• 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: 14.7952 ± 0.0003 Å
• b: 4.1628 ± 0.0001 Å
• c: 13.4493 ± 0.0003 Å
• α: 90°
• β: 95.717 ± 0.008°
• γ: 90°
• Cell volume: 824.22 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No