Crystallography Open Database

Information card for entry 7112635

Preview

Coordinates	7112635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 N2 P2 Pd S2
Calculated formula	C46 H38 N2 P2 Pd S2
SMILES	c1cnc(cc1)S[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccn1
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	9.9959 ± 0.0008 Å
b	15.2833 ± 0.0011 Å
c	12.9857 ± 0.001 Å
α	90°
β	97.233 ± 0.007°
γ	90°
Cell volume	1968 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0744
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7112635.cif
111522	2014-04-24	cif/ Adding structures of 7112635, 7112636, 7112637, 7112638, 7112639, 7112640, 7112641, 7112642 via cif-deposit CGI script.	7112635.cif