Crystallography Open Database

Information card for entry 1558808

Preview

Coordinates	1558808.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	A2L3Zn2
Formula	C193 H180 F21 N28 O21 S19 Zn4
Calculated formula	C193 H180 F21 N28 O21 S19 Zn4
Title of publication	Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages
Authors of publication	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong
Journal of publication	Chemical Science
Year of publication	2020
a	17.1885 ± 0.0008 Å
b	18.1907 ± 0.0008 Å
c	19.2773 ± 0.0008 Å
α	67.867 ± 0.004°
β	83.882 ± 0.004°
γ	83.88 ± 0.004°
Cell volume	5537 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1225
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2656
Weighted residual factors for all reflections included in the refinement	0.2974
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
255150 (current)	2020-08-07	cif/ Adding structures of 1558808, 1558809, 1558810, 1558811, 1558812, 1558813, 1558814 via cif-deposit CGI script.	1558808.cif