Crystallography Open Database

Information card for entry 4066604

Preview

Coordinates	4066604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H68 Cl12 N2 O6 S2 Ta2
Calculated formula	C65 H68 Cl12 N2 O6 S2 Ta2
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	14.107 ± 0.003 Å
b	17.26 ± 0.003 Å
c	15.701 ± 0.003 Å
α	90°
β	107.246 ± 0.003°
γ	90°
Cell volume	3651.1 ± 1.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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.	4066604.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066604.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066604.cif
33937	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066602, 4066603, 4066604 via cif-deposit CGI script.	4066604.cif