Crystallography Open Database

Information card for entry 7238063

Preview

Coordinates	7238063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cl N3 O Ru S
Calculated formula	C20 H22 Cl N3 O 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	10.6196 ± 0.0018 Å
b	12.7321 ± 0.0017 Å
c	14.8584 ± 0.0015 Å
α	90°
β	107.98 ± 0.011°
γ	90°
Cell volume	1910.9 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7238063.cif