Crystallography Open Database

Information card for entry 4000927

Preview

Coordinates	4000927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H44 N7 Ta
Calculated formula	C17 H40 N7 Ta
SMILES	CC(N1C(=[N]([Ta]1(N(C)C)(N(C)C)(N(C)C)N(C)C)C(C)C)N(C)C)C
Title of publication	New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films
Authors of publication	Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	1
Pages of publication	27
a	17.835 ± 0.002 Å
b	17.835 ± 0.002 Å
c	14.457 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4598.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	135
Hermann-Mauguin space group symbol	P 42/m b c
Hall space group symbol	-P 4c 2ab
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
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.	4000927.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000927.cif
36580	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000927 via cif-deposit CGI script.	4000927.cif