Information card for entry 7117983

Structure parameters

• Formula: C28.5 H25 Au B2 Cl N O3
• Calculated formula: C28.5 H25 Au B2 Cl N O3
• SMILES: [Au]12(c3c(c4[n]2cccc4)ccc(c3)C)OB(OB(O1)c1ccc(cc1)C=C)c1ccc(cc1)C=C.ClCCl
• Title of publication: Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation
• Authors of publication: Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15800
• a: 8.007 ± 0.004 Å
• b: 17.734 ± 0.008 Å
• c: 20.141 ± 0.01 Å
• α: 66.28 ± 0.006°
• β: 89.959 ± 0.007°
• γ: 77.147 ± 0.007°
• Cell volume: 2540 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No