Crystallography Open Database

Information card for entry 4066513

Preview

Coordinates	4066513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H20 Cl2 N2 Pd S
Calculated formula	C11 H20 Cl2 N2 Pd S
Title of publication	Thioether-Functionalized N-Heterocyclic Carbenes: Mono- and Bis-(S,CNHC) Palladium Complexes, Catalytic C−C Coupling, and Characterization of a Unique Ag4I4(S,CNHC)2Planar Cluster†
Authors of publication	Fliedel, Christophe; Braunstein, Pierre
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5614
a	7.828 ± 0.0003 Å
b	9.1978 ± 0.0005 Å
c	10.931 ± 0.0006 Å
α	83.665 ± 0.002°
β	85.152 ± 0.003°
γ	71.768 ± 0.003°
Cell volume	741.92 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
178557 (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 4/06/65.	4066513.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066513.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066513.cif
33915	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066509, 4066510, 4066511, 4066512, 4066513 via cif-deposit CGI script.	4066513.cif