Crystallography Open Database

Information card for entry 1569212

Preview

Coordinates	1569212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N6 O9 Zn2
Calculated formula	C25 H28 N6 O9 Zn2
Title of publication	PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.
Authors of publication	Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	24
Pages of publication	6558 - 6563
a	19.9701 ± 0.0003 Å
b	17.0535 ± 0.0003 Å
c	8.023 ± 0.0002 Å
α	90°
β	97.808 ± 0.002°
γ	90°
Cell volume	2706.98 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0512
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284884 (current)	2023-07-05	cif/ Updating files of 1569205, 1569206, 1569207, 1569208, 1569209, 1569210, 1569211, 1569212 Original log message: Adding full bibliography for 1569205--1569212.cif.	1569212.cif
284010	2023-05-26	cif/ Adding structures of 1569205, 1569206, 1569207, 1569208, 1569209, 1569210, 1569211, 1569212 via cif-deposit CGI script.	1569212.cif