Crystallography Open Database

Information card for entry 8000168

Preview

Coordinates	8000168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 Ir N P S3 W
Calculated formula	C25 H41 Ir N P S3 W
SMILES	[Ir]123456([W]([S]1)([S]2)(=S)=Nc1c(cccc1C(C)C)C(C)C)([P](C)(C)C)[c]1([c]3([c]4([c]5([c]61C)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	9.5917 ± 0.0016 Å
b	14.842 ± 0.002 Å
c	21.05 ± 0.004 Å
α	90°
β	102.054 ± 0.0019°
γ	90°
Cell volume	2930.6 ± 0.8 Å³
Cell temperature	123.1 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 significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	8000168.cif
94306	2014-01-22	cif/ Adding structures of 8000166, 8000167, 8000168, 8000169 via cif-deposit CGI script.	8000168.cif