Crystallography Open Database

Information card for entry 8000169

Preview

Coordinates	8000169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H65 Cl Ir N2 P S W
Calculated formula	C52 H64 Cl Ir N2 P S W
SMILES	[Ir]12345([W](Cl)([S]1)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)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	21.684 ± 0.003 Å
b	12.9161 ± 0.0019 Å
c	17.115 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4793.4 ± 1.3 Å³
Cell temperature	123.1 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	8000169.cif
94306	2014-01-22	cif/ Adding structures of 8000166, 8000167, 8000168, 8000169 via cif-deposit CGI script.	8000169.cif