Multimodal Structure Solution with <sup>19</sup>F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.
Authors of publication
Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.
Journal of publication
Journal of the American Chemical Society
Year of publication
2020
a
7.4246 ± 0.0004 Å
b
12.0849 ± 0.0005 Å
c
16.0856 ± 0.0008 Å
α
90°
β
91.596 ± 0.002°
γ
90°
Cell volume
1442.73 ± 0.12 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
99.92 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0249
Residual factor for significantly intense reflections
0.0187
Weighted residual factors for significantly intense reflections
0.037
Weighted residual factors for all reflections included in the refinement
0.0386
Goodness-of-fit parameter for all reflections included in the refinement
