Information card for entry 7128528

Structure parameters

• Formula: C36 H14 B F25 K N6 V
• Calculated formula: C36 H14 B F25 K 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: 36.734 ± 0.014 Å
• b: 36.734 ± 0.014 Å
• c: 27.197 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31783 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2326
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No