Crystallography Open Database

Information card for entry 7242191

Preview

Coordinates	7242191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 N7 O6 S Zn
Calculated formula	C30 H25 N7 O6 S Zn
Title of publication	A multifunctional benzothiadiazole-based fluorescence sensor for Al3+, Cr3+ and Fe3+
Authors of publication	Yao, Shu-Li; Xiong, Yu-Chen; Tian, Xue-Mei; Liu, Sui-Jun; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Wen, He-Rui
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	9
Pages of publication	1898 - 1905
a	11.1974 ± 0.0003 Å
b	12.7343 ± 0.0003 Å
c	12.9086 ± 0.0003 Å
α	64.468 ± 0.001°
β	73.24 ± 0.001°
γ	64.474 ± 0.001°
Cell volume	1486.83 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0553
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
263722 (current)	2021-04-05	cif/ Updating files of 7242191 Original log message: Adding full bibliography for 7242191.cif.	7242191.cif
261285	2021-01-28	cif/ Adding structures of 7242191 via cif-deposit CGI script.	7242191.cif