Information card for entry 7716931
Formula |
C45 H37 Cl2 N3 O Pd S |
Calculated formula |
C45 H37 Cl2 N3 O Pd S |
Title of publication |
IPr*Thia – Wingtip-Flexible, Sterically-Hindered, Modular, N,C/S,C-Chelating Thiazole-Donor N-Heterocyclic Carbene Ligands |
Authors of publication |
Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira |
Journal of publication |
Dalton Transactions |
Year of publication |
2024 |
a |
25.3287 ± 0.0003 Å |
b |
9.4913 ± 0.0001 Å |
c |
35.0477 ± 0.0003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
8425.55 ± 0.15 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100.15 K |
Number of distinct elements |
7 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0327 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.0767 |
Weighted residual factors for all reflections included in the refinement |
0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.119 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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