A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.
Authors of publication
Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N
Journal of publication
Dalton transactions (Cambridge, England : 2003)
Year of publication
2016
Journal volume
45
Journal issue
38
Pages of publication
15142 - 15154
a
32.246 ± 0.0012 Å
b
11.4564 ± 0.0013 Å
c
21.046 ± 0.002 Å
α
90°
β
121.537 ± 0.008°
γ
90°
Cell volume
6626.5 ± 1.2 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
6
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.0528
Residual factor for significantly intense reflections
0.0408
Weighted residual factors for significantly intense reflections
0.1177
Weighted residual factors for all reflections included in the refinement
0.1234
Goodness-of-fit parameter for all reflections included in the refinement
