Crystallography Open Database

Information card for entry 7218528

Preview

Coordinates	7218528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Cl4 N4 Pd2 S2
Calculated formula	C14 H24 Cl4 N4 Pd2 S2
SMILES	CCN1C(N(C=C1)CC)=[S]1[Pd](Cl)([S](=C2N(C=CN2CC)CC)[Pd]1(Cl)Cl)Cl
Title of publication	The Application of Ionic liquid-based System in the Extraction of Palladium: Synthesis, Characterization and Computer Calculation of Palladium Complexes
Authors of publication	Wang, Chen; Lu, Wenjuan; tong, yu; Zheng, Yan; Yang, Yanzhao
Journal of publication	RSC Adv.
Year of publication	2014
a	10.954 ± 0.003 Å
b	10.954 Å
c	19.84 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2380.6 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218528.cif
125535	2014-10-18	cif/ Adding structures of 7218528 via cif-deposit CGI script.	7218528.cif