Crystallography Open Database

Information card for entry 7026351

Preview

Coordinates	7026351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 Cl4 N2 Pd S
Calculated formula	C17 H24 Cl4 N2 Pd S
SMILES	[Pd]1(=C2N(C=CN2CC[S]1CC)c1c(cc(cc1C)C)C)(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis of N,N'-bis(thioether)-functionalized imidazolium salts: their reactivity towards Ag and Pd complexes and first S,C(NHC),S free carbene.
Authors of publication	Fliedel, Christophe; Sabbatini, Alessandra; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8820 - 8828
a	12.778 ± 0.001 Å
b	11.845 ± 0.001 Å
c	14.879 ± 0.002 Å
α	90°
β	103.886 ± 0.004°
γ	90°
Cell volume	2186.2 ± 0.4 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	0.0964
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179969 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026351.cif
93471	2014-01-13	cif/ Adding structures of 7026351 via cif-deposit CGI script.	7026351.cif