Crystallography Open Database

Information card for entry 4516841

Preview

Coordinates	4516841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H12 Ag B F20 N4
Calculated formula	C32 H12 Ag B F20 N4
SMILES	[Ag]([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.
Authors of publication	Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	3
Pages of publication	765 - 773
a	10.9963 ± 0.0005 Å
b	17.015 ± 0.0008 Å
c	19.1408 ± 0.0009 Å
α	90°
β	105.158 ± 0.002°
γ	90°
Cell volume	3456.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239585 (current)	2019-11-24	cif/ Adding structures of 4516841 via cif-deposit CGI script.	4516841.cif