Crystallography Open Database

Information card for entry 7053082

Preview

Coordinates	7053082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl2 Hg N2 O8 S2
Calculated formula	C22 H20 Cl2 Hg N2 O8 S2
SMILES	[Hg]123[S](Cc4[n]2c2ccccc2cc4)CC[S]1Cc1[n]3c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions
Authors of publication	Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	8
Pages of publication	2236
a	14.2333 ± 0.0007 Å
b	14.4741 ± 0.0007 Å
c	15.0775 ± 0.0009 Å
α	101.041 ± 0.0015°
β	113.072 ± 0.0008°
γ	111.103 ± 0.0003°
Cell volume	2457.8 ± 0.2 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053082.cif
87712	2013-08-27	cif/ Adding structures of 7053081, 7053082 via cif-deposit CGI script.	7053082.cif