Crystallography Open Database

Information card for entry 7202951

7202950 << 7202951 >> 7202952

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Coordinates	7202951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Hg N6 O S2
Calculated formula	C14 H8 Hg N6 O S2
Title of publication	Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies
Authors of publication	Mahmoudi, Ghodrat; Morsali, Ali
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	1062
a	34.493 ± 0.004 Å
b	5.921 ± 0.0007 Å
c	18.57 ± 0.002 Å
α	90°
β	121.566 ± 0.001°
γ	90°
Cell volume	3231.4 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180360 (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 7/20/29.	7202951.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202951.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202951.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.	7202951.cif