Crystallography Open Database

Information card for entry 1552199

Preview

Coordinates	1552199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Ag Cl N8 O4
Calculated formula	C30 H25 Ag Cl N8 O4
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	10.7387 ± 0.0001 Å
b	11.8558 ± 0.0002 Å
c	12.625 ± 0.0002 Å
α	67.142 ± 0.001°
β	76.626 ± 0.001°
γ	86.682 ± 0.001°
Cell volume	1440.05 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1552199.cif