Crystallography Open Database

Information card for entry 4081736

Preview

Coordinates	4081736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 Cl2 N3 Ta
Calculated formula	C18 H29 Cl2 N3 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	9.0682 ± 0.0014 Å
b	9.328 ± 0.0014 Å
c	12.5226 ± 0.0019 Å
α	85.403 ± 0.005°
β	73.21 ± 0.005°
γ	74.062 ± 0.005°
Cell volume	975.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081736.cif
91747	2013-12-13	cif/ Adding structures of 4081735, 4081736, 4081737, 4081738, 4081739 via cif-deposit CGI script.	4081736.cif