Crystallography Open Database

Information card for entry 4081735

Preview

Coordinates	4081735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H54 Cl6 N6 Ta2
Calculated formula	C34 H54 Cl6 N6 Ta2
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	29.858 ± 0.003 Å
b	8.7229 ± 0.001 Å
c	30.672 ± 0.004 Å
α	90°
β	98.529 ± 0.005°
γ	90°
Cell volume	7900.1 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0423
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4081735.cif
91747	2013-12-13	cif/ Adding structures of 4081735, 4081736, 4081737, 4081738, 4081739 via cif-deposit CGI script.	4081735.cif