Crystallography Open Database

Information card for entry 7250541

Preview

Coordinates	7250541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 Cl N2 O S
Calculated formula	C12 H11 Cl N2 O S
Title of publication	Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature
Authors of publication	Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin
Journal of publication	CrystEngComm
Year of publication	2025
a	8.6332 ± 0.0005 Å
b	6.0348 ± 0.0003 Å
c	46.857 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2441.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300040 (current)	2025-06-11	cif/ Adding structures of 7250536, 7250537, 7250538, 7250539, 7250540, 7250541, 7250542, 7250543, 7250544 via cif-deposit CGI script.	7250541.cif