Crystallography Open Database

Information card for entry 1569209

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Coordinates	1569209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23.84 Br2 N4 O10 Zn2
Calculated formula	C22 H24 Br2 N6 O10 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	8.5081 ± 0.0001 Å
b	17.0816 ± 0.0001 Å
c	9.7088 ± 0.0001 Å
α	90°
β	104.246 ± 0.001°
γ	90°
Cell volume	1367.61 ± 0.02 Å³
Cell temperature	271.26 ± 0.13 K
Ambient diffraction temperature	271.26 ± 0.13 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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

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