Crystallography Open Database

Information card for entry 7236501

Preview

Coordinates	7236501.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate
Formula	C60 H72 F12 N12 O16 Ru4 S4
Calculated formula	C60 H72 F12 N12 O16 Ru4 S4
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	14.4901 ± 0.0003 Å
b	14.4901 ± 0.0003 Å
c	17.3192 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3636.39 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7236501.cif