Information card for entry 7116605

Structure parameters

• Formula: C23 H24 As Br O S
• Calculated formula: C23 H24 As Br O S
• SMILES: C(CCSC(=O)C)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• 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: 11.17 ± 0.0003 Å
• b: 13.6075 ± 0.0004 Å
• c: 14.4757 ± 0.001 Å
• α: 90°
• β: 91.738 ± 0.007°
• γ: 90°
• Cell volume: 2199.23 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No