Crystallography Open Database

Information card for entry 2242041

2242040 << 2242041 >> 2242042

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
Formula	C34 H42 Br1.52 Cl0.48 Hg N4
Calculated formula	C34 H42 Br1.515 Cl0.485 Hg N4
Title of publication	Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)
Authors of publication	Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	423 - 428
a	22.8887 ± 0.0014 Å
b	13.883 ± 0.0008 Å
c	21.1396 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6717.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
192756 (current)	2017-03-02	cif/ hkl/ Adding structures of 2242041 via cif-deposit CGI script.	2242041.cif 2242041.hkl