Crystallography Open Database

Information card for entry 1560087

Preview

Coordinates	1560087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H116 N4 O4 Zn2
Calculated formula	C83 H116 N4 O4 Zn2
Title of publication	Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters
Authors of publication	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	8
Pages of publication	1086 - 1096
a	9.5822 ± 0.0002 Å
b	13.6635 ± 0.0003 Å
c	15.4413 ± 0.0003 Å
α	98.426 ± 0.002°
β	105.508 ± 0.002°
γ	99.504 ± 0.002°
Cell volume	1882.26 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.3 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	0.0539
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
262728 (current)	2021-03-05	cif/ Updating files of 1560087, 1560088, 1560089, 1560090, 1560091, 1560092, 1560093 Original log message: Adding full bibliography for 1560087--1560093.cif.	1560087.cif
260948	2021-01-14	cif/ Adding structures of 1560087, 1560088, 1560089, 1560090, 1560091, 1560092, 1560093 via cif-deposit CGI script.	1560087.cif