Crystallography Open Database

Information card for entry 4067014

Preview

Coordinates	4067014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H48 Cl2 Ir2 N2 O2 S2
Calculated formula	C25 H45 Cl2 Ir2 N2 O2 S2
Title of publication	Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System
Authors of publication	Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	20
Pages of publication	4584
a	13.288 ± 0.006 Å
b	12.823 ± 0.006 Å
c	19.34 ± 0.009 Å
α	90°
β	90.969 ± 0.008°
γ	90°
Cell volume	3295 ± 3 Å³
Cell temperature	193.1 K
Ambient diffraction temperature	193.1 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 significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 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.	4067014.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067014.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067014.cif
34053	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067012, 4067013, 4067014, 4067015 via cif-deposit CGI script.	4067014.cif