Crystallography Open Database

Information card for entry 1551600

Preview

Coordinates	1551600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Cl2 N2 O2 Ru S2
Calculated formula	C10 H28 Cl2 N2 O2 Ru S2
SMILES	[Ru]1(Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)[N](CC[N]1(C)C)(C)C
Title of publication	Crystal Structure of <i>Trans</i>(Cl),<i>cis</i>(S)-dichlorobis(dimethyl sulfoxide-<i>S</i>)(<i>N,N,N</i>′,<i>N</i>′-tetramethylethylenediamine)ruthenium(II)
Authors of publication	TOYAMA, Mari; IWATSUKI, Satoshi; NAGAO, Noriharu
Journal of publication	X-ray Structure Analysis Online
Year of publication	2016
Journal volume	32
Journal issue	0
Pages of publication	25
a	8.616 ± 0.005 Å
b	22.925 ± 0.012 Å
c	8.991 ± 0.005 Å
α	90°
β	94.415 ± 0.006°
γ	90°
Cell volume	1770.6 ± 1.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216211 (current)	2019-06-20	cif/ Adding structures of 1551600 via cif-deposit CGI script.	1551600.cif