Crystallography Open Database

Information card for entry 1574780

Preview

Coordinates	1574780.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn3(HOTP)2
Formula	C36 H12 O12 Zn3
Calculated formula	C12 H4 O4 Zn
Title of publication	High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.
Authors of publication	Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	27
Pages of publication	12416 - 12420
a	20.8662 Å
b	20.8662 Å
c	3.1649 Å
α	90°
β	90°
γ	120°
Cell volume	1193.38 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.2904
Residual factor for significantly intense reflections	0.1992
Weighted residual factors for significantly intense reflections	0.2259
Weighted residual factors for all reflections included in the refinement	0.2392
Goodness-of-fit parameter for significantly intense reflections	4.4582
Goodness-of-fit parameter for all reflections included in the refinement	3.0896
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301543 (current)	2025-08-06	cif/ Updating files of 1574780, 1574781 Original log message: Adding full bibliography for 1574780--1574781.cif.	1574780.cif
299909	2025-06-03	cif/ Adding structures of 1574780, 1574781 via cif-deposit CGI script.	1574780.cif