Crystallography Open Database

Information card for entry 4081738

Preview

Coordinates	4081738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Cl3 N6 Ta
Calculated formula	C14 H24 Cl3 N6 Ta
Title of publication	High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate
Authors of publication	Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6232
a	10.1922 ± 0.0011 Å
b	14.6406 ± 0.0015 Å
c	25.205 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3761.1 ± 0.7 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081738.cif
91747	2013-12-13	cif/ Adding structures of 4081735, 4081736, 4081737, 4081738, 4081739 via cif-deposit CGI script.	4081738.cif