Crystallography Open Database

Information card for entry 7202783

7202782 << 7202783 >> 7202784

Preview

Coordinates	7202783.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 6
Formula	C14 H18 Br2 Hg N2
Calculated formula	C14 H18 Br2 Hg N2
SMILES	[Hg](Br)(Br)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C
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	8.0661 ± 0.0008 Å
b	8.8122 ± 0.0008 Å
c	12.985 ± 0.0012 Å
α	79.354 ± 0.002°
β	86.643 ± 0.002°
γ	74.281 ± 0.003°
Cell volume	873.13 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7202783.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202783.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202783.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.	7202783.cif