Crystallography Open Database

Information card for entry 1564721

Preview

Coordinates	1564721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H104 Ag Al N2 O4 P
Calculated formula	C75 H104 Ag Al N2 O4 P
Title of publication	Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide
Authors of publication	Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot
Journal of publication	Chemical Science
Year of publication	2021
a	13.0018 ± 0.0004 Å
b	15.7611 ± 0.0007 Å
c	19.2597 ± 0.001 Å
α	113.433 ± 0.004°
β	99.104 ± 0.003°
γ	91.609 ± 0.003°
Cell volume	3557.5 ± 0.3 Å³
Cell temperature	150 ± 0.3 K
Ambient diffraction temperature	150 ± 0.3 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	0.1077
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269266 (current)	2021-09-24	cif/ Adding structures of 1564715, 1564716, 1564717, 1564718, 1564719, 1564720, 1564721, 1564722 via cif-deposit CGI script.	1564721.cif