Crystallography Open Database

Information card for entry 2241222

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Structure parameters

Chemical name	<i>cyclo</i>-Tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)
Formula	C24 F12 Hg3 N4
Calculated formula	C24 F12 Hg3 N4
SMILES	c12c(c(c(c(c1[Hg]c1c(c(F)c(c(c1[Hg]c1c([Hg]2)c(c(c(c1F)F)F)F)F)F)F)F)F)F)F.N#CC(=C(C#N)C#N)C#N
Title of publication	Crystal structure of <i>cyclo</i>-tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)
Authors of publication	Castañeda, Raúl; Timofeeva, Tatiana V.; Khrustalev, Victor N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	1375 - 1378
a	10.5658 ± 0.0011 Å
b	13.8297 ± 0.0015 Å
c	16.7166 ± 0.0018 Å
α	90°
β	90.575 ± 0.001°
γ	90°
Cell volume	2442.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0247
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241222.cif 2241222.hkl
169817	2015-10-29	cif/ hkl/ Adding structures of 2241222 via cif-deposit CGI script.	2241222.cif 2241222.hkl