Crystallography Open Database

Information card for entry 7112640

Preview

Coordinates	7112640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H39 N4 O P Pd S4 Sn
Calculated formula	C42 H39 N4 O P Pd S4 Sn
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	8.9822 ± 0.0003 Å
b	10.334 ± 0.0004 Å
c	23.1347 ± 0.0008 Å
α	100.226 ± 0.003°
β	98.001 ± 0.003°
γ	96.521 ± 0.003°
Cell volume	2071.55 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112640.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112640.cif
111522	2014-04-24	cif/ Adding structures of 7112635, 7112636, 7112637, 7112638, 7112639, 7112640, 7112641, 7112642 via cif-deposit CGI script.	7112640.cif