Crystallography Open Database

Information card for entry 8000166

Preview

Coordinates	8000166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H66 B F24 Ir N2 P Re S2
Calculated formula	C73 H66 B F24 Ir N2 P Re S2
SMILES	[Ir]123456([Re]([S]1)([S]2)(=Nc1c(cccc1C)C)=Nc1c(cccc1C)C)([P](C)(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c1ccccc1.c1ccccc1
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	13.817 ± 0.008 Å
b	15.322 ± 0.015 Å
c	17.809 ± 0.015 Å
α	89.15 ± 0.05°
β	86.44 ± 0.04°
γ	77.36 ± 0.04°
Cell volume	3672 ± 5 Å³
Cell temperature	123.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for all reflections included in the refinement	0.0383
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.	8000166.cif
94306	2014-01-22	cif/ Adding structures of 8000166, 8000167, 8000168, 8000169 via cif-deposit CGI script.	8000166.cif