Crystallography Open Database

Information card for entry 7001687

Preview

Coordinates	7001687.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	k2-(N,O)-L-selenomethioninato-methylmercury
Chemical name	k2-(N,O)-L-selenomethioninato-methylmercury
Formula	C6 H13 Hg N O2 Se
Calculated formula	C6 H13 Hg N O2 Se
SMILES	[Hg]1(OC(=O)[C@@H]([NH2]1)CC[Se]C)C
Title of publication	Synthesis, characterization and structures of methylmercury complexes with selenoamino acids
Authors of publication	Khan, Mohammad A. K.; Asaduzzaman, Abu Md.; Schreckenbach, Georg; Wang, Feiyue
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5766
a	6.8723 ± 0.0005 Å
b	5.8351 ± 0.0004 Å
c	13.3288 ± 0.001 Å
α	90°
β	90.41 ± 0.001°
γ	90°
Cell volume	534.48 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
179714 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16.	7001687.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001687.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001687.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001687.cif