Crystallography Open Database

Information card for entry 1571326

Preview

Coordinates	1571326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F6 Fe N8 Ti
Calculated formula	C24 H20 F6 Fe N8 Ti
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	12.599 ± 0.006 Å
b	25.838 ± 0.011 Å
c	13.639 ± 0.006 Å
α	90°
β	116.756 ± 0.005°
γ	90°
Cell volume	3965 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1415
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.2385
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	1571326.cif
290733	2024-04-03	cif/ Adding structures of 1571326, 1571327, 1571328, 1571329 via cif-deposit CGI script.	1571326.cif