Information card for entry 7127399

Structure parameters

• Formula: C36 H45 Au B2 O P2
• Calculated formula: C36 H45 Au B2 O P2
• SMILES: [Au]12[B]3(c4c([B](O)(c5c3cccc5)c3c(cccc3)[P]1(C(C)C)C(C)C)cccc4)c1c(cccc1)[P]2(C(C)C)C(C)C
• 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: 19.5549 ± 0.0003 Å
• b: 17.1275 ± 0.0003 Å
• c: 19.6848 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6592.96 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No