Crystallography Open Database

Information card for entry 1544602

Preview

Coordinates	1544602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 F12 N4 O2 Si2 Zn2
Calculated formula	C56 H72 F12 N4 O2 Si2 Zn2
Title of publication	A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide
Authors of publication	Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	1876
a	11.3281 ± 0.0006 Å
b	24.0698 ± 0.0013 Å
c	13.5639 ± 0.0006 Å
α	90°
β	110.91 ± 0.002°
γ	90°
Cell volume	3454.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211179 (current)	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	1544602.cif
193739	2017-03-05	cif/ Updating files of 1544602, 1544603 Original log message: Adding full bibliography for 1544602--1544603.cif.	1544602.cif
188542	2016-11-18	cif/ Adding structures of 1544602, 1544603 via cif-deposit CGI script.	1544602.cif