Crystallography Open Database

Information card for entry 7711870

Preview

Coordinates	7711870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H8 Cd N6 O6 S2
Calculated formula	C18 H8 Cd N6 O6 S2
Title of publication	Selective recognition of Hg<sup>2+</sup> ions in aqueous solution by a Cd<sup>II</sup>-based metal-organic framework with good stability and vacant coordination sites.
Authors of publication	Cao, Xiao-Qin; Wu, Wei-Peng; Li, Qiang; Zheng, Teng-Fei; Chen, Yong-Qiang; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	652 - 658
a	10.1318 ± 0.0003 Å
b	10.4983 ± 0.0003 Å
c	10.9116 ± 0.0003 Å
α	105.487 ± 0.001°
β	97.622 ± 0.001°
γ	99.918 ± 0.001°
Cell volume	1082.09 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0382
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
283351 (current)	2023-05-05	cif/ Updating files of 7711870 Original log message: Adding full bibliography for 7711870.cif.	7711870.cif
279709	2022-12-06	cif/ Adding structures of 7711870 via cif-deposit CGI script.	7711870.cif