Information card for entry 7127398

Structure parameters

• Formula: C48 H69.47 Au B2 K O7.53 P2
• Calculated formula: C48 H69.477 Au B2 K O7.523 P2
• Title of publication: H₂ evolution from H₂O via O-H oxidative addition across a 9,10-diboraanthracene.
• Authors of publication: Taylor, Jordan W.; Harman, W. Hill
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 89
• Pages of publication: 13804 - 13807
• a: 11.5721 ± 0.0003 Å
• b: 13.3494 ± 0.0004 Å
• c: 17.4347 ± 0.0005 Å
• α: 77.4593 ± 0.0005°
• β: 77.1738 ± 0.0005°
• γ: 68.9764 ± 0.0005°
• Cell volume: 2423.17 ± 0.12 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: 0.0148
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No