Crystallography Open Database

Information card for entry 1552198

Preview

Coordinates	1552198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Ag2 Cl2 N16 O8
Calculated formula	C72 H60 Ag2 Cl2 N16 O8
Title of publication	Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction
Authors of publication	Sun, Na; Wang, Shi-Qiang; Zou, Ruqiang; Cui, Wen-Gang; Zhang, Anqi; Zhang, Tianzhen; Li, Qi; Zhuang, Zhan-Zhong; Zhang, Ying-Hui; Xu, Jialiang; Zaworotko, Michael J.; Bu, Xian-He
Journal of publication	Chemical Science
Year of publication	2019
a	14.2045 ± 0.0001 Å
b	23.0696 ± 0.0002 Å
c	20.6652 ± 0.0002 Å
α	90°
β	97.942 ± 0.001°
γ	90°
Cell volume	6706.87 ± 0.1 Å³
Cell temperature	169 ± 6 K
Ambient diffraction temperature	169 ± 6 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217513 (current)	2019-08-14	cif/ Adding structures of 1552197, 1552198, 1552199, 1552200 via cif-deposit CGI script.	1552198.cif