Crystallography Open Database

Information card for entry 7225874

Preview

Coordinates	7225874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Hg2 N4 O6
Calculated formula	C14 H12 Hg2 N4 O6
SMILES	[Hg]1([n]2c3c4c(ccc(C)[n]14)ccc3ccc2C)[Hg](ON(=O)=O)ON(=O)=O
Title of publication	A facile, fast responsive and highly selective mercury (II) probe: characterized by the fluorescence quenching of 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks
Authors of publication	Shan, Fa-Shuo; Lai, Jia-Ping; Sun, Hui; Zhang, Ping; Luo, Chong; He, Yan-Hui; Feng, Huan-Ran
Journal of publication	RSC Adv.
Year of publication	2016
a	10.117 ± 0.003 Å
b	20.587 ± 0.006 Å
c	8.167 ± 0.003 Å
α	90°
β	95.673 ± 0.006°
γ	90°
Cell volume	1692.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0899
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
184345 (current)	2016-07-09	cif/ Adding structures of 7225874, 7225875 via cif-deposit CGI script.	7225874.cif