Crystallography Open Database

Information card for entry 1573451

Preview

Coordinates	1573451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C523.2 H705.2 N195.61 O170 Zn54
Calculated formula	C385.2 H367.2 N165.6 O108 Zn54
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	58.3017 ± 0.0002 Å
b	58.3017 ± 0.0002 Å
c	58.3017 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	198173 ± 1.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	203
Hermann-Mauguin space group symbol	F d -3 :2
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1573451.cif
296850	2024-12-12	cif/ Adding structures of 1573449, 1573450, 1573451 via cif-deposit CGI script.	1573451.cif