Crystallography Open Database

Information card for entry 1568023

Preview

Coordinates	1568023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 Cu F6 N5.33 Si
Calculated formula	C29 H34 Cu F6 N5.33333 Si
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	17.4998 ± 0.0005 Å
b	17.4998 ± 0.0005 Å
c	17.4998 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5359.2 ± 0.3 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 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	0.1082
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.2925
Weighted residual factors for all reflections included in the refinement	0.3134
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	1568023.cif
279614	2022-11-29	cif/ Adding structures of 1568021, 1568022, 1568023, 1568024 via cif-deposit CGI script.	1568023.cif