Crystallography Open Database

Information card for entry 4088277

Preview

Coordinates	4088277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 F6 N2 Zn
Calculated formula	C27 H32 F6 N2 Zn
SMILES	[Zn]1(N(C(=CC(=[N]1c1c(cccc1CC)CC)C(F)(F)F)C(F)(F)F)c1c(cccc1CC)CC)CC
Title of publication	Electron-Deficient β-Diiminato-Zinc-Ethyl Complexes: Synthesis, Structure, and Reactivity in Ring-Opening Polymerization of Lactones
Authors of publication	Kronast, Alexander; Reiter, Marina; Altenbuchner, Peter T.; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	681
a	12.4913 ± 0.0007 Å
b	10.724 ± 0.0006 Å
c	20.1647 ± 0.0011 Å
α	90°
β	96.137 ± 0.003°
γ	90°
Cell volume	2685.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0329
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
237433 (current)	2019-11-24	cif/ Adding structures of 4088276, 4088277, 4088278 via cif-deposit CGI script.	4088277.cif