Crystallography Open Database

Information card for entry 4120450

4120449 << 4120450 >> 4120451

Preview

Coordinates	4120450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H116 Cl4 Cu8 Li2 N4
Calculated formula	C60 H116 Cl4 Cu8 Li2 N4
Title of publication	Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.
Authors of publication	Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	2
Pages of publication	610 - 613
a	16.3819 ± 0.0005 Å
b	12.9444 ± 0.0004 Å
c	35.6961 ± 0.0013 Å
α	90°
β	101.894 ± 0.004°
γ	90°
Cell volume	7407 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120450.html