Information card for entry 7707473

Structure parameters

• Formula: C46 H21 B2 Cl2 F30 N O2
• Calculated formula: C45 H19 B2 F30 N O2
• Title of publication: B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.
• Authors of publication: Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8947 - 8954
• a: 11.994 ± 0.004 Å
• b: 13.023 ± 0.004 Å
• c: 17.033 ± 0.005 Å
• α: 81.55 ± 0.01°
• β: 85.189 ± 0.009°
• γ: 69.211 ± 0.009°
• Cell volume: 2458.9 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1272
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No