Crystallography Open Database

Information card for entry 4001600

Preview

Coordinates	4001600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H38 Cl N5 W
Calculated formula	C17 H38 Cl N5 W
SMILES	[W]1(Cl)(=NC(C)(C)C)([N](C(C)C)=C(N(C)C)N1C(C)C)=NC(C)(C)C
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	15.399 ± 0.002 Å
b	9.5815 ± 0.0015 Å
c	32.617 ± 0.005 Å
α	90°
β	103.14 ± 0.015°
γ	90°
Cell volume	4686.5 ± 1.2 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1456
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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.	4001600.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001600.cif
47653	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001600 via cif-deposit CGI script.	4001600.cif