Crystallography Open Database

Information card for entry 7706608

Preview

Coordinates	7706608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N4 O2 S2 Zn
Calculated formula	C42 H30 N4 O2 S2 Zn
SMILES	[Zn]12([N](=Cc3cccc(c4sc5ccccc5n4)c3O2)Cc2ccccc2)Oc2c(C=[N]1Cc1ccccc1)cccc2c1sc2c(n1)cccc2
Title of publication	ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.
Authors of publication	Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	11
Pages of publication	3916 - 3922
a	9.1613 ± 0.00017 Å
b	14.4849 ± 0.0003 Å
c	14.8515 ± 0.0003 Å
α	118.361 ± 0.0019°
β	94.9008 ± 0.0016°
γ	96.0026 ± 0.0015°
Cell volume	1704.06 ± 0.07 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.0404
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263771 (current)	2021-04-05	cif/ Updating files of 7706604, 7706605, 7706606, 7706607, 7706608 Original log message: Adding full bibliography for 7706604--7706608.cif.	7706608.cif
261936	2021-02-13	cif/ Adding structures of 7706604, 7706605, 7706606, 7706607, 7706608 via cif-deposit CGI script.	7706608.cif