Information card for entry 7127710

Structure parameters

• Formula: C25 H27 As Au Cl3 O4
• Calculated formula: C25 H27 As Au Cl3 O4
• SMILES: [Au]([As]1(c2c(OCCOCCOCCOc3c1cccc3)cccc2)c1ccccc1)Cl.ClCCl
• Title of publication: Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.
• Authors of publication: Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 16
• Pages of publication: 2013 - 2016
• a: 16.789 ± 0.01 Å
• b: 8.99 ± 0.005 Å
• c: 18.133 ± 0.01 Å
• α: 90°
• β: 98.208 ± 0.007°
• γ: 90°
• Cell volume: 2709 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No