Crystallography Open Database

Information card for entry 7129323

Preview

Coordinates	7129323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H16 F16 N2 Zn2
Calculated formula	C27 H16 F16 N2 Zn2
SMILES	[Zn]1(N(C(=CC(=[N]1c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F)[Zn]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes
Authors of publication	Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan
Journal of publication	Chemical Communications
Year of publication	2021
a	11.018 ± 0.002 Å
b	12.159 ± 0.002 Å
c	13.418 ± 0.003 Å
α	79.522 ± 0.009°
β	68.845 ± 0.009°
γ	64.64 ± 0.008°
Cell volume	1514.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
270916 (current)	2021-11-30	cif/ Adding structures of 7129323, 7129324, 7129325, 7129326, 7129327, 7129328, 7129329, 7129330 via cif-deposit CGI script.	7129323.cif