Crystallography Open Database

Information card for entry 7112641

Preview

Coordinates	7112641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 N2 P Pd S2 Sn
Calculated formula	C40 H33 N2 P Pd S2 Sn
SMILES	[Pd]12([Sn]([n]3c(S1)cccc3)([n]1c(S2)cccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons
Authors of publication	Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5382
a	16.3741 ± 0.0005 Å
b	9.4293 ± 0.0002 Å
c	23.7358 ± 0.0007 Å
α	90°
β	104.305 ± 0.002°
γ	90°
Cell volume	3551.09 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0372
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.072
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112641.cif
111522	2014-04-24	cif/ Adding structures of 7112635, 7112636, 7112637, 7112638, 7112639, 7112640, 7112641, 7112642 via cif-deposit CGI script.	7112641.cif