Crystallography Open Database

Information card for entry 4066510

Preview

Coordinates	4066510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 F6 N2 P S
Calculated formula	C23 H29 F6 N2 P 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	11.1279 ± 0.0006 Å
b	19.1377 ± 0.0006 Å
c	15.6504 ± 0.0006 Å
α	90°
β	130.591 ± 0.003°
γ	90°
Cell volume	2531 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0994
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4066510.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066510.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066510.cif
33915	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066509, 4066510, 4066511, 4066512, 4066513 via cif-deposit CGI script.	4066510.cif