Crystallography Open Database

Information card for entry 1571680

Preview

Coordinates	1571680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H138 Cu4 F24 N32 Zr4
Calculated formula	C118 H138 Cu4 F24 N32 Zr4
Title of publication	Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.
Authors of publication	Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9318 - 9324
a	16.9122 ± 0.0007 Å
b	16.9122 ± 0.0007 Å
c	31.516 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9014.3 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
292855 (current)	2024-07-05	cif/ Updating files of 1571680, 1571681, 1571682, 1571683, 1571684, 1571685, 1571686, 1571687 Original log message: Adding full bibliography for 1571680--1571687.cif.	1571680.cif
291990	2024-05-23	cif/ Adding structures of 1571680, 1571681, 1571682, 1571683, 1571684, 1571685, 1571686, 1571687 via cif-deposit CGI script.	1571680.cif