Crystallography Open Database

Information card for entry 7018258

Preview

Coordinates	7018258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 F6 Hg N2 P S2
Calculated formula	C19 H29 F6 Hg N2 P S2
SMILES	[Hg](Sc1ccc([N+](C)(C)C)cc1)(Sc1ccc([N+](C)(C)C)cc1)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Reactions of a methylmercury zwitterionic thiolate complex [MeHg(Tab)]PF(6) with various donor ligands: relevance to methylmercury detoxification.
Authors of publication	Zheng, Ai-Xia; Li, Hong-Xi; Hou, Kai-Peng; Shi, Jing; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2699 - 2706
a	17.975 ± 0.004 Å
b	11.308 ± 0.002 Å
c	12.905 ± 0.003 Å
α	90°
β	105.36 ± 0.03°
γ	90°
Cell volume	2529.4 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.0814
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179886 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82.	7018258.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018258.cif
37699	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018256, 7018257, 7018258, 7018259 via cif-deposit CGI script.	7018258.cif