Crystallography Open Database

Information card for entry 1551347

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Structure parameters

Formula	C23 H22 N4 S
Calculated formula	C23 H22 N4 S
SMILES	s1c(N(CC)CC)ccc1c1cc(nc(c2ncccc2)c1)c1ncccc1
Title of publication	Enhanced three-photon activity trigged by AIE behavior of a novel terpyridine-based Zn(II) complex bearing thiophene bridge
Authors of publication	Feng, Zhihui; Li, Dandan; Zhang, Mingzhu; Shao, Tao; shen, yu; Tian, Xiaohe; Zhang, Qiong; Li, Shengli; Wu, Jieying; Tian, Yupeng
Journal of publication	Chemical Science
Year of publication	2019
a	6.1003 ± 0.0002 Å
b	19.2105 ± 0.0009 Å
c	16.5303 ± 0.0006 Å
α	90°
β	90.586 ± 0.003°
γ	90°
Cell volume	1937.08 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0553
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551347.cif
215851	2019-06-12	cif/ Adding structures of 1551347, 1551348 via cif-deposit CGI script.	1551347.cif