Crystallography Open Database

Information card for entry 1573941

Preview

Coordinates	1573941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H69.5 Cu F6 N7.5 O12.5 S2
Calculated formula	C62 H69.5 Cu F6 N7.5 O12.5 S2
Title of publication	Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.
Authors of publication	Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	12
Pages of publication	5058 - 5063
a	15.4717 ± 0.0005 Å
b	18.0548 ± 0.0007 Å
c	22.9196 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6402.3 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
298817 (current)	2025-04-05	cif/ Updating files of 1573940, 1573941, 1573942 Original log message: Adding full bibliography for 1573940--1573942.cif.	1573941.cif
297772	2025-02-20	cif/ Adding structures of 1573940, 1573941, 1573942 via cif-deposit CGI script.	1573941.cif