Crystallography Open Database

Information card for entry 1571328

Preview

Coordinates	1571328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F6 Fe N8 O0 Zr
Calculated formula	C24 H20 F6 Fe N8 Zr
Title of publication	Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.
Authors of publication	Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6583 - 6588
a	13.709 ± 0.008 Å
b	25.837 ± 0.015 Å
c	12.83 ± 0.008 Å
α	90°
β	117.798 ± 0.007°
γ	90°
Cell volume	4020 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.2202
Residual factor for significantly intense reflections	0.1532
Weighted residual factors for significantly intense reflections	0.3496
Weighted residual factors for all reflections included in the refinement	0.3803
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291557 (current)	2024-05-05	cif/ Updating files of 1571326, 1571327, 1571328, 1571329 Original log message: Adding full bibliography for 1571326--1571329.cif.	1571328.cif
290733	2024-04-03	cif/ Adding structures of 1571326, 1571327, 1571328, 1571329 via cif-deposit CGI script.	1571328.cif