Crystallography Open Database

Information card for entry 1573940

Preview

Coordinates	1573940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60.7 Cu F6 N4.4 O6.55 P
Calculated formula	C54 H60.7 Cu F6 N4.4 O6.55 P
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	11.8395 ± 0.0006 Å
b	14.4553 ± 0.0007 Å
c	15.7362 ± 0.0008 Å
α	70.349 ± 0.002°
β	82.732 ± 0.002°
γ	88.868 ± 0.002°
Cell volume	2515.2 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1573940.cif
297772	2025-02-20	cif/ Adding structures of 1573940, 1573941, 1573942 via cif-deposit CGI script.	1573940.cif