Information card for entry 4118759

Structure parameters

• Formula: C34 H30 Au N2 O2 P S6
• Calculated formula: C34 H30 Au N2 O2 P S6
• SMILES: C12=C(N(C(=O)S2)CC)S[Au]2(S1)SC1=C(N(C(=O)S1)CC)S2.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 18.311 ± 0.0006 Å
• b: 8.0874 ± 0.0003 Å
• c: 25.3857 ± 0.0008 Å
• α: 90°
• β: 104.61 ± 0.001°
• γ: 90°
• Cell volume: 3637.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No