Crystallography Open Database

Information card for entry 7021776

Preview

Coordinates	7021776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl4 Hg2 N2 O2
Calculated formula	C12 H12 Cl4 Hg2 N2 O2
SMILES	c1cccc2[n]1[Hg]1(Cl)([Cl][Hg]3([n]4ccccc4C[OH]3)(Cl)[Cl]1)[OH]C2
Title of publication	Formation of a 1D-polymeric chain of Hg building blocks through C-C coupling under ambient conditions.
Authors of publication	Mobin, Shaikh M.; Mishra, Veenu; Ram, Priti; Birla, Anil; Mathur, Pradeep
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	30
Pages of publication	10687 - 10689
a	7.2128 ± 0.0004 Å
b	7.3831 ± 0.0004 Å
c	9.467 ± 0.0004 Å
α	107.164 ± 0.004°
β	92.654 ± 0.004°
γ	112.675 ± 0.005°
Cell volume	437.07 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179922 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/17.	7021776.cif
87683	2013-08-27	cif/ Adding structures of 7021775, 7021776 via cif-deposit CGI script.	7021776.cif