Information card for entry 7127829

Structure parameters

• Common name: Au(D-bordt)(OC4)
• Chemical name: Gold(D-bornylene-1,2-dithiolate)(1,2-bis(4-butoxyphenyl)ethylene-dithiolate)
• Formula: C32 H40 Au O2 S4
• Calculated formula: C32 H40 Au O2 S4
• SMILES: [Au]12(SC3=C(S1)[C@]1(C([C@@H]3CC1)(C)C)C)SC(=C(S2)c1ccc(OCCCC)cc1)c1ccc(OCCCC)cc1
• Title of publication: A radical mixed-ligand gold bis(dithiolene) complex.
• Authors of publication: Perochon, Romain; Barrière, Frédéric; Jeannin, Olivier; Piekara-Sady, Lidia; Fourmigué, Marc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 13
• Pages of publication: 1615 - 1618
• a: 10.7823 ± 0.0003 Å
• b: 11.0287 ± 0.0003 Å
• c: 15.3429 ± 0.0004 Å
• α: 107.822 ± 0.004°
• β: 91.112 ± 0.003°
• γ: 107.275 ± 0.003°
• Cell volume: 1646.34 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No