Crystallography Open Database

Information card for entry 2235445

Preview

Coordinates	2235445.cif
Structure factors	2235445.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-μ-chlorido- [dichloridomercury(II)]-μ-chlorido]
Formula	C26 H20 Cl4 Hg2 N6
Calculated formula	C26 H20 Cl4 Hg2 N6
SMILES	[Hg]123([Cl][Hg](Cl)(Cl)[Cl][Hg]456([Cl][Hg](Cl)Cl)[N](N=C(c7ccccc7)C(=N[N]5=Cc5[n]6cccc5)c5ccccc5)=Cc5[n]4cccc5)(Cl)[N](N=C(c4ccccc4)C(=N[N]2=Cc2[n]3cccc2)c2ccccc2)=Cc2[n]1cccc2
Title of publication	<i>catena</i>-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')mercury(II)]-μ-chlorido-[dichloridomercury(II)]-μ-chlorido]
Authors of publication	Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Hosseini-Yazdi, Seyed Abolfazl; Mahmoudi, Ghodrat
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	m903 - m904
a	8.856 ± 0.0002 Å
b	13.8093 ± 0.0004 Å
c	23.696 ± 0.0007 Å
α	90°
β	96.702 ± 0.001°
γ	90°
Cell volume	2878.1 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181276 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/54.	2235445.cif 2235445.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2235445.cif 2235445.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2235445.cif 2235445.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2235445.cif 2235445.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2235445.cif 2235445.hkl
63914	2012-08-10	cif/ Adding structures of 2235445 via cif-deposit CGI script.	2235445.cif