Crystallography Open Database

Information card for entry 1512686

Preview

Coordinates	1512686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Hg2 I4 N4
Calculated formula	C26 H22 Hg2 I4 N4
SMILES	[Hg]1(I)(I)[n]2ccccc2C(=[N]1CC[N]1[Hg](I)(I)[n]2ccccc2C=1c1ccccc1)c1ccccc1
Title of publication	Syntheses, studies and crystal structures of coordination polymers and dinuclear complexes of mercury(II) halides and thiocyanate with a symmetrical Schiff base ligand
Authors of publication	Ali Akbar Khandar; Veysel Turan Yilmaz; Ferdinando Costantino; Sedat Gumus; Seyed Abolfazl Hosseini-Yazdi; Ghodrat Mahmoudi
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	36 - 44
a	11.32 ± 0.007 Å
b	8.786 ± 0.006 Å
c	16.418 ± 0.011 Å
α	90°
β	106.64 ± 0.012°
γ	90°
Cell volume	1564.5 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512686.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512686.cif
90753	2013-11-18	cif/ Adding structures of 1512686 via cif-deposit CGI script.	1512686.cif