Information card for entry 7128529

Structure parameters

• Formula: C62 H43 B Br Co F24 N6 V
• Calculated formula: C62 H43 B Br Co F24 N6 V
• Title of publication: Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.
• Authors of publication: Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 56
• Pages of publication: 6903 - 6906
• a: 12.4395 ± 0.0019 Å
• b: 13.2732 ± 0.0019 Å
• c: 20.002 ± 0.003 Å
• α: 103.157 ± 0.004°
• β: 97.11 ± 0.004°
• γ: 108.906 ± 0.004°
• Cell volume: 2971.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No