Crystallography Open Database

Information card for entry 1551348

Preview

Coordinates	1551348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N10 O6 S2 Zn
Calculated formula	C46 H44 N10 O6 S2 Zn
SMILES	c1cccc2c3cc(cc4c5cccc[n]5[Zn]56([n]12)([n]34)[n]1ccccc1c1cc(cc(c2cccc[n]62)[n]51)c1ccc(N(CC)CC)s1)c1ccc(N(CC)CC)s1.N(=O)(=O)[O-].N(=O)(=O)[O-]
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	13.074 ± 0.002 Å
b	13.076 ± 0.002 Å
c	15.476 ± 0.003 Å
α	99.48 ± 0.002°
β	95.071 ± 0.002°
γ	105.389 ± 0.002°
Cell volume	2491.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0837
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.2161
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
215851 (current)	2019-06-12	cif/ Adding structures of 1551347, 1551348 via cif-deposit CGI script.	1551348.cif