Crystallography Open Database

Information card for entry 8101886

Preview

Coordinates	8101886.cif

Structure parameters

Chemical name	dichloro(pyridine-2-aldoxime-N,N')mercury(II)
Formula	C6 H6 Cl2 Hg N2 O
Calculated formula	C6 H6 Cl2 Hg N2 O
SMILES	[Hg]1(Cl)(Cl)[n]2ccccc2C=[N]1O
Title of publication	Crystal structure of dichloro(pyridine-2-aldoxime-N,N')mercury(II), HgCl~2~(NC~5~H~4~CHNOH)
Authors of publication	Torabi, A. A.; Kian, R.; Souldozi, A.; Welter, R.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	4
Pages of publication	613 - 614
a	3.875 ± 0.0001 Å
b	8.724 ± 0.0003 Å
c	13.942 ± 0.0005 Å
α	107.06 ± 0.05°
β	95.9 ± 0.05°
γ	95.22 ± 0.05°
Cell volume	444.54 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0479
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101886.cif
107934	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101886.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101886.cif
12625	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101886 via cif-deposit CGI script.	8101886.cif