Crystallography Open Database

Information card for entry 4111717

Preview

Coordinates	4111717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 Cl4 N2 W
Calculated formula	C5 H8 Cl4 N2 W
Title of publication	Tungsten Allylimido Complexes Cl4(RCN)W(NC3H5) as Single-Source CVD Precursors for WNxCyThin Films. Correlation of Precursor Fragmentation to Film Properties
Authors of publication	Omar J. Bchir; Kelly M. Green; Hiral M. Ajmera; Elizabeth A. Zapp; Timothy J. Anderson; Benjamin C. Brooks; Laurel L. Reitfort; David H. Powell; Khalil A. Abboud; Lisa McElwee-White
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	7825 - 7833
a	6.1482 ± 0.0007 Å
b	7.4742 ± 0.0008 Å
c	12.3697 ± 0.0013 Å
α	90°
β	95.089 ± 0.002°
γ	90°
Cell volume	566.18 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178888 (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 4/11/17.	4111717.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111717.cif
63321	2012-07-26	cif/ Adding structures of 4111717 via cif-deposit CGI script.	4111717.cif