Information card for entry 7117982

Structure parameters

• Formula: C71 H64 Au2 B4 Fe4 N2 O6
• Calculated formula: C71 H64 Au2 B4 Fe4 N2 O6
• 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: 20.8526 ± 0.0009 Å
• b: 7.7561 ± 0.0002 Å
• c: 21.4691 ± 0.0009 Å
• α: 90°
• β: 118.283 ± 0.0011°
• γ: 90°
• Cell volume: 3057.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No