Crystallography Open Database

Information card for entry 7236499

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Coordinates	7236499.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]
Formula	C14 H19 Cl2 N3 O2 Ru
Calculated formula	C14 H19 Cl2 N3 O2 Ru
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	8.5593 ± 0.0005 Å
b	10.1279 ± 0.0007 Å
c	11.1478 ± 0.0008 Å
α	101.641 ± 0.006°
β	110.181 ± 0.006°
γ	99.969 ± 0.005°
Cell volume	856.87 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7236499.cif