Crystallography Open Database

Information card for entry 1568021

Preview

Coordinates	1568021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H96 Cu6 F36 N32 Si6
Calculated formula	C120 H96 Cu6 F36 N32 Si6
Title of publication	Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.
Authors of publication	Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	298 - 309
a	17.5318 ± 0.0003 Å
b	17.5318 ± 0.0003 Å
c	17.5318 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5388.64 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1725
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281365 (current)	2023-03-04	cif/ Updating files of 1568021, 1568022, 1568023, 1568024 Original log message: Adding full bibliography for 1568021--1568024.cif.	1568021.cif
279614	2022-11-29	cif/ Adding structures of 1568021, 1568022, 1568023, 1568024 via cif-deposit CGI script.	1568021.cif