Crystallography Open Database

Information card for entry 4105614

Preview

Coordinates	4105614.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1'-Dimethyl-3,3'-Methylene-4-Diimidazolin-2,2'-Diylidene-Palladium(IV) Tetrachloride
Formula	C21 H30 Cl14 N8 Pd2
Calculated formula	C21 H30 Cl14 N8 Pd2
Title of publication	Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates
Authors of publication	A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1832 - 1848
a	7.6703 ± 0.0006 Å
b	18.5451 ± 0.0011 Å
c	13.1767 ± 0.0008 Å
α	90°
β	91.644 ± 0.004°
γ	90°
Cell volume	1873.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105614.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105614.cif
52374	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105614 via cif-deposit CGI script.	4105614.cif