Crystallography Open Database

Information card for entry 1574883

Preview

Coordinates	1574883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl N2 O5
Calculated formula	C20 H19 Cl N2 O5
Title of publication	Stimuli-Responsive Photoswitch-Actinide Binding: A Match Made in MOFs
Authors of publication	Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey Richard; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake; DiPrete, David P.; Smith, Mark D.; Simon, Phillpot R.; Shustova, Natalia
Journal of publication	Chemical Science
Year of publication	2025
a	6.8431 ± 0.0003 Å
b	21.1213 ± 0.0009 Å
c	26.1977 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3786.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
300107 (current)	2025-06-18	cif/ Adding structures of 1574882, 1574883 via cif-deposit CGI script.	1574883.cif