Crystallography Open Database

Information card for entry 7236500

Preview

Coordinates	7236500.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]
Formula	C14 H18 Cl2 N2 O Ru S
Calculated formula	C14 H18 Cl2 N2 O Ru S
Title of publication	Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases
Authors of publication	Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	40
Pages of publication	6039
a	6.6956 ± 0.0013 Å
b	15.2432 ± 0.001 Å
c	17.81 ± 0.003 Å
α	67.308 ± 0.011°
β	80.069 ± 0.015°
γ	89.881 ± 0.009°
Cell volume	1647.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
235620 (current)	2019-11-23	cif/ Adding structures of 7236497, 7236498, 7236499, 7236500, 7236501 via cif-deposit CGI script.	7236500.cif