Information card for entry 7128532

Structure parameters

• Formula: C66 H57 B Co F25 N5 O S V
• Calculated formula: C66 H57 B Co F25 N5 O S V
• SMILES: [B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(N=[V]123[N](CCN1c1c(c(c(c(c1F)F)F)F)F)(CCN2c1c(c(c(c(c1F)F)F)F)F)CCN3c1c(c(c(c(c1F)F)F)F)F)Sc1ccccc1.[c]12([c]3([c]4([c]5([c]1(C)[Co]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C.CCOCC
• 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: 27.094 ± 0.005 Å
• b: 11.888 ± 0.002 Å
• c: 40.475 ± 0.008 Å
• α: 90°
• β: 94.917 ± 0.004°
• γ: 90°
• Cell volume: 12989 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2397
• Residual factor for significantly intense reflections: 0.1545
• Weighted residual factors for significantly intense reflections: 0.2872
• Weighted residual factors for all reflections included in the refinement: 0.3167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No