Crystallography Open Database

Information card for entry 2229388

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Structure parameters

Chemical name	Di-μ-chlorido-bis{chlorido[4-nitro-<i>N</i>-(pyridin-2-ylmethylidene- κ<i>N</i>)aniline-κ<i>N</i>]mercury(II)}
Formula	C24 H18 Cl4 Hg2 N6 O4
Calculated formula	C24 H18 Cl4 Hg2 N6 O4
SMILES	c1cccc2[n]1[Hg]1([N](c3ccc(cc3)N(=O)=O)=C2)(Cl)[Cl][Hg]2([n]3ccccc3C=[N]2c2ccc(N(=O)=O)cc2)(Cl)[Cl]1
Title of publication	Di-μ-chlorido-bis{chlorido[4-nitro-<i>N</i>-(pyridin-2-ylmethylidene-κ<i>N</i>)aniline-κ<i>N</i>]mercury(II)}
Authors of publication	Salehzadeh, Sadegh; Dehghanpour, Saeed; Khalaj, Mehdi; Rahimishakiba, Mohammad
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	3
Pages of publication	m327
a	8.9731 ± 0.0002 Å
b	7.8439 ± 0.0003 Å
c	20.1403 ± 0.0007 Å
α	90°
β	98.155 ± 0.002°
γ	90°
Cell volume	1403.22 ± 0.08 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.0399
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
181214 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/93.	2229388.cif 2229388.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229388.cif 2229388.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229388.cif 2229388.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.	2229388.cif 2229388.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229388.cif 2229388.hkl
17966	2011-04-13	hkl/: adding the rest of Fobs files for the recent IUCr deposit.	2229388.cif 2229388.hkl
17440	2011-04-07	../uploads/cif-deposit/cod/cif Adding structures of 2229388 via cif-deposit CGI script.	2229388.cif