Crystallography Open Database

Information card for entry 1544135

Preview

Coordinates	1544135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 F10 N4 Zn
Calculated formula	C26 H20 F10 N4 Zn
SMILES	[Zn]([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs
Authors of publication	Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	21
Pages of publication	7763
a	12.2298 ± 0.0013 Å
b	7.6667 ± 0.0008 Å
c	17.9898 ± 0.0014 Å
α	90°
β	125.106 ± 0.005°
γ	90°
Cell volume	1379.9 ± 0.2 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
188059 (current)	2016-11-08	cif/ Updating files of 1544135 Original log message: Adding full bibliography for 1544135.cif.	1544135.cif
186566	2016-09-15	cif/ Adding structures of 1544135 via cif-deposit CGI script.	1544135.cif