Reversible C–C bond formation in group 4 metal complexes: nitrile extrusion via β-aryl elimination
Authors of publication
Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.
Journal of publication
Chemical Science
Year of publication
2024
a
10.4428 ± 0.0007 Å
b
12.0367 ± 0.001 Å
c
15.1051 ± 0.001 Å
α
84.604 ± 0.004°
β
76.557 ± 0.003°
γ
65.977 ± 0.004°
Cell volume
1686.7 ± 0.2 Å3
Cell temperature
120 K
Ambient diffraction temperature
120 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0744
Residual factor for significantly intense reflections
0.0611
Weighted residual factors for significantly intense reflections
0.1401
Weighted residual factors for all reflections included in the refinement
0.1538
Goodness-of-fit parameter for all reflections included in the refinement
