Crystallography Open Database

Information card for entry 7250561

Preview

Coordinates	7250561.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PIZOF-2-PNA
Formula	C36 N3 O23.703 Zr1.5
Calculated formula	C36 N3 O23.7029 Zr1.5
Title of publication	A multivariate library of zirconia metal–organic frameworks with dissolved p-nitroaniline dipoles and concentration-dependent optical and dielectric response
Authors of publication	Langlois, Kyle R.; Wang, Yangyang; Joshua, Fnu; Newsome, Wesley J.; Zhai, Lei; Harper, James K.; Uribe-Romo, Fernando J.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	26
Pages of publication	4463 - 4469
a	39.925 ± 0.015 Å
b	39.925 Å
c	39.925 Å
α	90°
β	90°
γ	90°
Cell volume	63641 ± 2 Å³
Ambient diffraction temperature	294.15 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Weighted residual factors for significantly intense reflections	0.10086
RFsqd	0.22439
Goodness-of-fit parameter for all reflections	2.419
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54051 Å
Diffraction radiation type	CuKα~1,2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300687 (current)	2025-07-06	cif/ Updating files of 7250561 Original log message: Adding full bibliography for 7250561.cif.	7250561.cif
300109	2025-06-18	cif/ Adding structures of 7250561 via cif-deposit CGI script.	7250561.cif