Crystallography Open Database

Information card for entry 2311564

Preview

Coordinates	2311564.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[4-<i>tert</i>-Butyl-2,6-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)phenyl-κ<i>C</i>^1^]tellurium(II) (1,4-dioxane)triiodidomercurate(II)
Formula	C38 H49 Hg I3 N4 O2 Te
Calculated formula	C38 H49 Hg I3 N4 O2 Te
SMILES	[Hg](I)(I)(I)[O]1CCOCC1.[Te]12[n]3c(n(c4c3cccc4)CCCCC)c3cc(cc(c23)c2[n]1c1ccccc1n2CCCCC)C(C)(C)C
Title of publication	Synthesis and structure of an aryl-tellurenium(II) cation; [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-κ<i>N</i><sup>3</sup>)phenyl-κ<i>C</i><sup>1</sup>]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).
Authors of publication	Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 3
Pages of publication	390 - 393
a	9.6074 ± 0.0002 Å
b	25.4943 ± 0.0006 Å
c	17.4326 ± 0.0003 Å
α	90°
β	95.152 ± 0.002°
γ	90°
Cell volume	4252.59 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0491
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
245986 (current)	2019-12-25	cif/ Adding structures of 2311564 via cif-deposit CGI script.	2311564.cif