Crystallography Open Database

Information card for entry 2020736

2020735 << 2020736 >> 2020737

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Structure parameters

Chemical name	Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)
Formula	C20 H18 Hg I2 N10
Calculated formula	C20 H18 Hg I2 N10
SMILES	c1cc2c(n(Cn3c[n]([Hg](I)(I)[n]4cn(cc4)Cn4c5c(cccc5)nn4)cc3)nn2)cc1
Title of publication	Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
Authors of publication	Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	4
a	12.103 ± 0.002 Å
b	11.827 ± 0.002 Å
c	17.862 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2556.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.28
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
194036 (current)	2017-03-07	cif/ hkl/ Adding structures of 2020735, 2020736 via cif-deposit CGI script.	2020736.cif 2020736.hkl