Crystallography Open Database

Information card for entry 2019413

2019412 << 2019413 >> 2019414

Preview

Coordinates	2019413.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diiodidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]
Formula	C26 H20 Hg I2 N6
Calculated formula	C26 H20 Hg I2 N6
SMILES	[Hg](I)(I)[n]1ccc(cc1)Cn1c(nc2c1cccc2)c1n(c2c(n1)cccc2)Cc2cc[n](cc2)[Hg](I)(I)[n]3ccc(cc3)Cn3c(nc4c3cccc4)c3n(c4c(n3)cccc4)Cc4ccncc4
Title of publication	Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
Authors of publication	Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	37 - 42
a	25.339 ± 0.009 Å
b	6.056 ± 0.002 Å
c	17.683 ± 0.006 Å
α	90°
β	98.619 ± 0.004°
γ	90°
Cell volume	2682.9 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2019413.cif
104777	2014-03-11	cif/ hkl/ Adding structures of 2019410, 2019411, 2019412, 2019413 via cif-deposit CGI script.	2019413.cif