Information card for entry 7127700

Structure parameters

• Formula: C28 H33 As Au Cl O6
• Calculated formula: C28 H33 As Au Cl O6
• SMILES: [Au]([As]1(c2ccccc2OCCOCCOCCOCCOCCOc2ccccc12)c1ccccc1)Cl
• 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: 8.791 ± 0.004 Å
• b: 9.87 ± 0.005 Å
• c: 17.284 ± 0.009 Å
• α: 80.231 ± 0.016°
• β: 84.537 ± 0.019°
• γ: 68.486 ± 0.013°
• Cell volume: 1374.1 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No