Crystallography Open Database

Information card for entry 1573449

Preview

Coordinates	1573449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H59 N24 O29.5 Zn9
Calculated formula	C60 H48 N24 O24 Zn9
Title of publication	Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.
Authors of publication	Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	4
Pages of publication	1730 - 1736
a	15.31573 ± 0.00019 Å
b	15.31573 ± 0.00019 Å
c	56.9773 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	11574.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
298116 (current)	2025-03-04	cif/ Updating files of 1573449, 1573450, 1573451 Original log message: Adding full bibliography for 1573449--1573451.cif.	1573449.cif
296850	2024-12-12	cif/ Adding structures of 1573449, 1573450, 1573451 via cif-deposit CGI script.	1573449.cif