Crystallography Open Database

Information card for entry 7158485

Preview

Coordinates	7158485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Cl8 N4 O2 Zn2
Calculated formula	C52 H52 Cl8 N4 O2 Zn2
Title of publication	A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.
Authors of publication	Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	6
Pages of publication	1253 - 1259
a	10.3073 ± 0.0018 Å
b	18.584 ± 0.003 Å
c	14.516 ± 0.002 Å
α	90°
β	105.319 ± 0.004°
γ	90°
Cell volume	2681.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0945
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273421 (current)	2022-03-05	cif/ Updating files of 7158485 Original log message: Adding full bibliography for 7158485.cif.	7158485.cif
272017	2022-01-13	cif/ Adding structures of 7158485 via cif-deposit CGI script.	7158485.cif