Information card for entry 7118776

Structure parameters

• Chemical name: (SPhCO2Me)2
• Formula: C16 H14 O4 S2
• Calculated formula: C16 H14 O4 S2
• SMILES: S(Sc1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC
• Title of publication: Shedding light on an ultra-bright photoluminescent lamellar gold thiolate coordination polymer [Au(p-SPhCO2Me)]n.
• Authors of publication: Lavenn, Christophe; Guillou, Nathalie; Monge, Miguel; Podbevšek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9063 - 9066
• a: 5.9165 ± 0.0004 Å
• b: 7.6653 ± 0.0005 Å
• c: 17.819 ± 0.001 Å
• α: 79.997 ± 0.005°
• β: 85.946 ± 0.005°
• γ: 75.915 ± 0.006°
• Cell volume: 771.57 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9835
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No