Crystallography Open Database

Information card for entry 1574049

Preview

Coordinates	1574049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H27.5 N1.5 O8.5 Pr
Calculated formula	C31.5 H25.5 N1.5 O7.5 Pr
Title of publication	Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Authors of publication	Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	6
Pages of publication	2879 - 2885
a	15.0438 ± 0.0003 Å
b	28.0476 ± 0.0006 Å
c	16.0831 ± 0.0004 Å
α	90°
β	97.259 ± 0.002°
γ	90°
Cell volume	6731.8 ± 0.3 Å³
Cell temperature	119.9 ± 0.8 K
Ambient diffraction temperature	119.9 ± 0.8 K
Number of distinct elements	5
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	0.0755
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297953 (current)	2025-03-04	cif/ Adding structures of 1574044, 1574045, 1574046, 1574047, 1574048, 1574049, 1574050, 1574051, 1574052 via cif-deposit CGI script.	1574049.cif