Crystallography Open Database

Information card for entry 4516837

Preview

Coordinates	4516837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 B Cl2 Cr F20 O4
Calculated formula	C40 H32 B Cl2 Cr F20 O4
SMILES	[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C1CCC[O]1[Cr]([O]1CCCC1)(Cl)([O]1CCCC1)([O]1CCCC1)Cl
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	17.0405 ± 0.0003 Å
b	17.0405 ± 0.0003 Å
c	28.3198 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8223.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
239581 (current)	2019-11-24	cif/ Adding structures of 4516837 via cif-deposit CGI script.	4516837.cif