Crystallography Open Database

Information card for entry 1557407

Preview

Coordinates	1557407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H56 N2 O2 Zn
Calculated formula	C45.5 H55.5 N2 O2 Zn
Title of publication	Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method
Authors of publication	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	13
Pages of publication	2381 - 2389
a	9.7165 ± 0.0004 Å
b	13.0789 ± 0.0008 Å
c	16.8043 ± 0.0008 Å
α	76.357 ± 0.005°
β	79.83 ± 0.004°
γ	85.53 ± 0.004°
Cell volume	2041.18 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 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	0.0596
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257943 (current)	2020-10-06	cif/ Updating files of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 Original log message: Adding full bibliography for 1557407--1557412.cif.	1557407.cif
250379	2020-04-05	cif/ Updating files of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 Original log message: Adding full bibliography for 1557407--1557412.cif.	1557407.cif
248526	2020-02-28	cif/ Adding structures of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 via cif-deposit CGI script.	1557407.cif