Crystallography Open Database

Information card for entry 8000167

Preview

Coordinates	8000167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H24 Ir O2 P S2 W
Calculated formula	C13 H24 Ir O2 P S2 W
SMILES	[Ir]123456([W]([S]1)([S]2)(=O)=O)([P](C)(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands
Authors of publication	Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	5
Pages of publication	622
a	8.4702 ± 0.0012 Å
b	12.985 ± 0.002 Å
c	16.275 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1790 ± 0.5 Å³
Cell temperature	123.1 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 significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.0254
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000167.cif
94306	2014-01-22	cif/ Adding structures of 8000166, 8000167, 8000168, 8000169 via cif-deposit CGI script.	8000167.cif