Crystallography Open Database

Information card for entry 7018259

Preview

Coordinates	7018259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C226 H332 F72 Hg6 N28 O2 P12 S24
Calculated formula	C226 H327 F72 Hg6 N28 O2 P12 S24
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	27.196 ± 0.005 Å
b	12.152 ± 0.002 Å
c	23.754 ± 0.005 Å
α	90°
β	99.35 ± 0.03°
γ	90°
Cell volume	7746 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7018259.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018259.cif
37699	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018256, 7018257, 7018258, 7018259 via cif-deposit CGI script.	7018259.cif