Crystallography Open Database

Information card for entry 7246449

Preview

Coordinates	7246449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cd N6 O4 S2
Calculated formula	C18 H10 Cd N6 O4 S2
Title of publication	A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution
Authors of publication	Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	2366 - 2371
a	11.5809 ± 0.0004 Å
b	11.2962 ± 0.0005 Å
c	15.112 ± 0.0006 Å
α	90°
β	104.191 ± 0.001°
γ	90°
Cell volume	1916.63 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
283205 (current)	2023-05-05	cif/ Updating files of 7246449 Original log message: Adding full bibliography for 7246449.cif.	7246449.cif
281920	2023-03-17	cif/ Adding structures of 7246449 via cif-deposit CGI script.	7246449.cif