Crystallography Open Database

Information card for entry 7249710

Preview

Coordinates	7249710.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)
Chemical name	trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)
Formula	C13 H16 Cl4 N O3 Re S
Calculated formula	C13 H16 Cl4 N O3 Re S
Title of publication	An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst
Authors of publication	Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	54
Pages of publication	40058 - 40068
a	8.3972 ± 0.0012 Å
b	32.451 ± 0.005 Å
c	6.6411 ± 0.0011 Å
α	90°
β	94.071 ± 0.005°
γ	90°
Cell volume	1805.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296957 (current)	2024-12-24	cif/ Adding structures of 7249710, 7249711, 7249712, 7249713, 7249714, 7249715 via cif-deposit CGI script.	7249710.cif