Crystallography Open Database

Information card for entry 7250020

Preview

Coordinates	7250020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N3 O4
Calculated formula	C21 H15 N3 O4
Title of publication	Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs
Authors of publication	Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	14
Pages of publication	2175 - 2189
a	8.8372 ± 0.0003 Å
b	26.8331 ± 0.0012 Å
c	7.5381 ± 0.0003 Å
α	90°
β	94.605 ± 0.003°
γ	90°
Cell volume	1781.74 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
298854 (current)	2025-04-05	cif/ Updating files of 7250020, 7250021, 7250022, 7250023, 7250024 Original log message: Adding full bibliography for 7250020--7250024.cif.	7250020.cif
297853	2025-02-26	cif/ Adding structures of 7250020, 7250021, 7250022, 7250023, 7250024 via cif-deposit CGI script.	7250020.cif