Crystallography Open Database

Information card for entry 4118022

Preview

Coordinates	4118022.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[TcNCl(LMe)4]Cl
Chemical name	Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride
Formula	C28 H48 Cl2 N9 Tc
Calculated formula	C28 H48 Cl2.04 N9 Tc
Title of publication	Aryl and NHC Compounds of Technetium and Rhenium
Authors of publication	Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9118 - 9121
a	13.484 ± 0.001 Å
b	13.484 ± 0.001 Å
c	9.799 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1781.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	0.69
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118022.cif
75167	2013-03-08	cif/ Adding structures of 4118022 via cif-deposit CGI script.	4118022.cif