Information card for entry 7055659

Structure parameters

• Formula: C39 H69 Au Cl6 N O4 S8
• Calculated formula: C39 H69 Au Cl6 N O4 S8
• SMILES: C12=C(SCC3(CS2)O[C@H](C)[C@@H](C)O3)S[Au]2(S1)SC1=C(SCC3(CS1)O[C@H](C)[C@@H](C)O3)S2.C(CCC)[N+](CCCC)(CCCC)CCCC.CCCCCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Chiral, radical, gold bis(dithiolene) complexes
• Authors of publication: Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 7113
• a: 11.0845 ± 0.0003 Å
• b: 29.8343 ± 0.0007 Å
• c: 17.4548 ± 0.0004 Å
• α: 90°
• β: 104.412 ± 0.001°
• γ: 90°
• Cell volume: 5590.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No