Crystallography Open Database

Information card for entry 7238062

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Coordinates	7238062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 Cl N3 O2 Ru S
Calculated formula	C15 H22 Cl N3 O2 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	10.398 ± 0.002 Å
b	12.551 ± 0.003 Å
c	13.766 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1796.5 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7238062.cif