Crystallography Open Database

Information card for entry 4001601

Preview

Coordinates	4001601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H41 Cl2 N5 W
Calculated formula	C18 H41 Cl2 N5 W
SMILES	[WH]1(=NC(C)(C)C)(=NC(C)(C)C)[N](C(C)C)=C(N(C)C)N1C(C)C.ClCCl
Title of publication	New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films
Authors of publication	Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	25
Pages of publication	6075
a	8.8327 ± 0.0006 Å
b	19.0411 ± 0.0013 Å
c	15.2788 ± 0.001 Å
α	90°
β	101.43 ± 0.006°
γ	90°
Cell volume	2518.7 ± 0.3 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.954
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001601.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001601.cif
47654	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001601 via cif-deposit CGI script.	4001601.cif