Crystallography Open Database

Information card for entry 7202781

7202780 << 7202781 >> 7202782

Preview

Coordinates	7202781.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 4
Formula	C5 H3 Br2 Cl2 Hg N
Calculated formula	C5 H3 Br2 Cl2 Hg N
Title of publication	Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.
Authors of publication	Hu, Chunhua; Kalf, Irmgard; Englert, Ulli
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	7
Pages of publication	603
a	4.0533 ± 0.0009 Å
b	17.987 ± 0.004 Å
c	13.77 ± 0.003 Å
α	90°
β	90.315 ± 0.005°
γ	90°
Cell volume	1003.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0709
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
180358 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/27.	7202781.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202781.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202781.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202781.cif