Crystallography Open Database

Information card for entry 1548928

Preview

Coordinates	1548928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Br2 F22 N2 Ni
Calculated formula	C40 H42 Br2 F22 N2 Ni
SMILES	Br[Ni]1(Br)[N](=C(C(=[N]1c1c(cc(cc1C(C)C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C)C)C)c1c(cc(cc1C(C)C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
Title of publication	Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization
Authors of publication	Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	1234
a	13.1834 ± 0.0005 Å
b	34.0491 ± 0.0013 Å
c	10.3637 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4652.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
230951 (current)	2019-11-17	cif/ Updating files of 1548928, 1548929 Original log message: Adding full bibliography for 1548928--1548929.cif.	1548928.cif
206481	2018-02-17	cif/ Adding structures of 1548928, 1548929 via cif-deposit CGI script.	1548928.cif