Crystallography Open Database

Information card for entry 7225719

Preview

Coordinates	7225719.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-Mercaptobenzothiazolate palladium complexes
Formula	C26 H0 Cl N0 O8 Pd2 S10
Calculated formula	C28 H24 N4 O4 Pd2 S8
SMILES	c1cccc2c1sc1[n]2[Pd]234[n]5c(S[Pd]4(S1)([n]1c4ccccc4sc1S2)[n]1c(S3)sc2ccccc12)sc1c5cccc1.O.O.O.O
Title of publication	A 2-Mercaptobenzothiazole-functionalized ionic liquid for selective extraction of Pd(II) from hydrochloric acid medium
Authors of publication	Zhang, Hong; Wang, Chen; Zheng, Yan; Wang, Shubin; Liu, Zhaohui; Yang, Yanzhao
Journal of publication	RSC Adv.
Year of publication	2016
a	7.786 ± 0.003 Å
b	10.872 ± 0.005 Å
c	11.188 ± 0.005 Å
α	75.96 ± 0.005°
β	83.809 ± 0.004°
γ	71.052 ± 0.004°
Cell volume	868.5 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
184012 (current)	2016-06-28	cif/ Adding structures of 7225719 via cif-deposit CGI script.	7225719.cif