Crystallography Open Database

Information card for entry 1558814

Preview

Coordinates	1558814.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	A2L3Cd2
Formula	C109 H111 Cd2 F12 N17 O12 S10
Calculated formula	C109 H111 Cd2 F12 N17 O12 S10
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	13.5418 ± 0.0001 Å
b	13.5418 ± 0.0001 Å
c	66.0707 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	12116.1 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.261
Weighted residual factors for all reflections included in the refinement	0.2706
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
255150 (current)	2020-08-07	cif/ Adding structures of 1558808, 1558809, 1558810, 1558811, 1558812, 1558813, 1558814 via cif-deposit CGI script.	1558814.cif