Information card for entry 7039459

Structure parameters

• Formula: C18 H18 Au F3 N2 O3
• Calculated formula: C18 H18 Au F3 N2 O3
• SMILES: [Au]12(c3cc(ccc3c3[n]1cccc3)C)CCOC(=[NH]2)C.FC(C(=O)[O-])(F)F
• Title of publication: Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.
• Authors of publication: Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14719 - 14724
• a: 7.1906 ± 0.0006 Å
• b: 12.6491 ± 0.001 Å
• c: 19.396 ± 0.0016 Å
• α: 90°
• β: 89.9973 ± 0.0016°
• γ: 90°
• Cell volume: 1764.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/n
• Hall space group symbol: -P 2n
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No