Crystallography Open Database

Information card for entry 4066603

Preview

Coordinates	4066603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 Cl4 F3 N O6 S2 Ta
Calculated formula	C40 H41 Cl4 F3 N O6 S2 Ta
Title of publication	Influence of Hydrogen Bonds on the Stability of Some Cationic Monoaminocarbene Tantalum Complexes Containing Tridentate Bis(phenolato) [OSO]-Type Ligands
Authors of publication	Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	5834
a	27.569 ± 0.003 Å
b	18.834 ± 0.002 Å
c	17.903 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9295.9 ± 1.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
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	0.1629
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
178558 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/66.	4066603.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066603.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066603.cif
33937	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066602, 4066603, 4066604 via cif-deposit CGI script.	4066603.cif