Crystallography Open Database

Information card for entry 1564716

Preview

Coordinates	1564716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H117 Al Cu N4 O P
Calculated formula	C78 H117 Al Cu N4 O 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	12.6572 ± 0.0004 Å
b	19.3809 ± 0.0006 Å
c	30.2695 ± 0.0012 Å
α	90°
β	98.787 ± 0.004°
γ	90°
Cell volume	7338.2 ± 0.4 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1236
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1856
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1564716.cif