Crystallography Open Database

Information card for entry 7218529

Preview

Coordinates	7218529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Cl2 N4 Pd S2
Calculated formula	C14 H24 Cl2 N4 Pd S2
SMILES	C1(N(C=CN1CC)CC)=[S][Pd]([S]=C1N(C=CN1CC)CC)(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	18.0778 ± 0.0019 Å
b	9.268 ± 0.001 Å
c	13.131 ± 0.0014 Å
α	90°
β	113.059 ± 0.002°
γ	90°
Cell volume	2024.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	7218529.cif
125536	2014-10-18	cif/ Adding structures of 7218529 via cif-deposit CGI script.	7218529.cif