Crystallography Open Database

Information card for entry 4076422

Preview

Coordinates	4076422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 F3 N O6 S Ta
Calculated formula	C26 H27 F3 N O6 S Ta
Title of publication	Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity
Authors of publication	Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1849
a	20.483 ± 0.004 Å
b	14.542 ± 0.002 Å
c	18.93 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5639 ± 2 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.869
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
178653 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64.	4076422.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076422.cif
51955	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076421, 4076422, 4076423, 4076424 via cif-deposit CGI script.	4076422.cif