Direct measurement of covalent three-center, two-electron M–H–B bonding in Zr and Hf borohydrides using B K-edge XAS
Authors of publication
Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, Peter A.; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.
Journal of publication
Chemical Science
Year of publication
2025
a
10.1671 ± 0.001 Å
b
13.3719 ± 0.0013 Å
c
14.4875 ± 0.0013 Å
α
97.458 ± 0.005°
β
105.662 ± 0.005°
γ
97.063 ± 0.005°
Cell volume
1854.5 ± 0.3 Å3
Cell temperature
150.15 K
Ambient diffraction temperature
150.15 K
Number of distinct elements
4
Space group number
1
Hermann-Mauguin space group symbol
P 1
Hall space group symbol
P 1
Residual factor for all reflections
0.0269
Residual factor for significantly intense reflections
0.0251
Weighted residual factors for significantly intense reflections
0.0581
Weighted residual factors for all reflections included in the refinement
0.0599
Goodness-of-fit parameter for all reflections included in the refinement
