Crystallography Open Database

Information card for entry 1564718

Preview

Coordinates	1564718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H208 Al2 Cu2 N4 O8 P2
Calculated formula	C150 H208 Al2 Cu2 N4 O8 P2
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	13.0313 ± 0.0004 Å
b	15.8057 ± 0.0007 Å
c	18.8852 ± 0.0009 Å
α	112.876 ± 0.004°
β	98.299 ± 0.003°
γ	92.821 ± 0.003°
Cell volume	3522.6 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.1519
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.2453
Weighted residual factors for all reflections included in the refinement	0.3017
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	1564718.cif