Information card for entry 7117981

Structure parameters

• Formula: C30 H32 Au B2 N O5
• Calculated formula: C30 H32 Au B2 N O5
• SMILES: [Au]12(c3c(c4[n]2cccc4)ccc(c3)C)OB(OB(O1)c1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1
• 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: 16.224 ± 0.002 Å
• b: 13.4035 ± 0.0019 Å
• c: 13.0086 ± 0.0018 Å
• α: 90°
• β: 98.365 ± 0.003°
• γ: 90°
• Cell volume: 2798.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0692
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No