Crystallography Open Database

Information card for entry 7206678

7206677 << 7206678 >> 7206679

Preview

Coordinates	7206678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cl2 Hg N2 O
Calculated formula	C7 H12 Cl2 Hg N2 O
Title of publication	Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties
Authors of publication	Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6457
a	14.691 ± 0.006 Å
b	7.384 ± 0.005 Å
c	20.279 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2200 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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
180397 (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 7/20/66.	7206678.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206678.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206678.cif
29981	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206677, 7206678 via cif-deposit CGI script.	7206678.cif