Crystallography Open Database

Information card for entry 4333696

Preview

Coordinates	4333696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cl2 N2 O2 Ru S2
Calculated formula	C26 H38 Cl2 N2 O2 Ru S2
SMILES	[Ru]123(Cl)(Cl)[S@](=O)(c4ccc(cc4)C)CC[N]2(C)[C@@H]2CCCC[C@H]2[N]3(C)CC[S@@]1(=O)c1ccc(cc1)C
Title of publication	Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism
Authors of publication	Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1170 - 1172
a	24.559 ± 0.002 Å
b	9.5482 ± 0.0009 Å
c	11.6554 ± 0.0011 Å
α	90°
β	102.557 ± 0.001°
γ	90°
Cell volume	2667.7 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179439 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/36.	4333696.cif
99499	2014-01-31	cif/ Adding structures of 4333696 via cif-deposit CGI script.	4333696.cif