Information card for entry 7128531

Structure parameters

• Formula: C64 H47 B Co F30 N5 O1.5 V
• Calculated formula: C64 H42 B Co F30 N5 O1.5 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: 38.933 ± 0.017 Å
• b: 11.079 ± 0.005 Å
• c: 29.911 ± 0.013 Å
• α: 90°
• β: 105.567 ± 0.006°
• γ: 90°
• Cell volume: 12429 ± 9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2251
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No