Crystallography Open Database

Information card for entry 4518049

Preview

Coordinates	4518049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 Cl8 N8 Pt2 S4
Calculated formula	C32 H56 Cl8 N8 Pt2 S4
Title of publication	ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction
Authors of publication	Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2020
Journal volume	8
Journal issue	38
Pages of publication	14353 - 14364
a	15.7093 ± 0.0004 Å
b	11.6599 ± 0.0003 Å
c	14.4112 ± 0.0004 Å
α	90°
β	111.737 ± 0.003°
γ	90°
Cell volume	2451.98 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257095 (current)	2020-10-04	cif/ Updating files of 4518049 Original log message: Adding full bibliography for 4518049.cif.	4518049.cif
256494	2020-09-18	cif/ Adding structures of 4518049 via cif-deposit CGI script.	4518049.cif