Information card for entry 7116604

Structure parameters

• Formula: C21 H21 As O3 S2
• Calculated formula: C21 H21 As O3 S2
• SMILES: C(CCSS(=O)(=O)[O-])[As+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Triphenylarsonium-functionalised gold nanoparticles: potential nanocarriers for intracellular therapeutics
• Authors of publication: Nikhil Lalwani; Yu-Su Chen; Gemma Brooke; Neil A. Cross; David W. Allen; Alan Reynolds; Jesus Ojeda; Graham J. Tizzard; Simon J. Coles; Neil Bricklebank
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4109
• a: 11.687 ± 0.005 Å
• b: 14.366 ± 0.006 Å
• c: 12.127 ± 0.005 Å
• α: 90°
• β: 106.254 ± 0.005°
• γ: 90°
• Cell volume: 1954.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No