Crystallography Open Database

Information card for entry 4068799

Preview

Coordinates	4068799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Cl2 Ru2 S2
Calculated formula	C26 H44 Cl2 Ru2 S2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Ru]162345([S](C(C)C)[Ru]23456([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)([S]1C(C)C)Cl)Cl)C)C)C)C
Title of publication	Remarkable Effect of Halogens on Catalytic Activities of Thiolato-Bridged Diruthenium Complexes in Propargylic Substitution Reactions
Authors of publication	Tanabe, Yoshiaki; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1138
a	20.8897 ± 0.0009 Å
b	8.68 ± 0.0003 Å
c	18.0832 ± 0.0009 Å
α	90°
β	122.05 ± 0.001°
γ	90°
Cell volume	2779.2 ± 0.2 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068799.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068799.cif
39979	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068799, 4068800, 4068801, 4068802, 4068803 via cif-deposit CGI script.	4068799.cif