Information card for entry 7127397

Structure parameters

• Formula: C53 H81 Au B2 K O8.5 P2
• Calculated formula: C53 H81 Au B2 K O8.5 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: 12.4601 ± 0.0004 Å
• b: 27.1704 ± 0.001 Å
• c: 16.4408 ± 0.0006 Å
• α: 90°
• β: 94.0898 ± 0.0006°
• γ: 90°
• Cell volume: 5551.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No