Crystallography Open Database

Information card for entry 7238061

Preview

Coordinates	7238061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Cl2 N3 Ru S
Calculated formula	C18 H27 Cl2 N3 Ru S
Title of publication	Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
Authors of publication	Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	66
Pages of publication	38629
a	10.6918 ± 0.0018 Å
b	14.539 ± 0.002 Å
c	26.597 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4134.5 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0426
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
243811 (current)	2019-11-28	cif/ Adding structures of 7238060, 7238061, 7238062, 7238063 via cif-deposit CGI script.	7238061.cif