Crystallography Open Database

Information card for entry 4075287

Preview

Coordinates	4075287.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ph(CC)3Ph-[(o-C6F4Hg)3]
Formula	C36 H10 F12 Hg3
Calculated formula	C36 H10 F12 Hg3
SMILES	c12c([Hg]c3c(c(F)c(c(c3[Hg]c3c(F)c(F)c(F)c(F)c3[Hg]1)F)F)F)c(c(c(c2F)F)F)F.c1(ccccc1)C#CC#CC#Cc1ccccc1
Title of publication	Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3
Authors of publication	Taylor, Thomas J.; Gabbaï, François P.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2143
a	12.36 ± 0.003 Å
b	30.321 ± 0.006 Å
c	9.0688 ± 0.0018 Å
α	90°
β	108.43 ± 0.03°
γ	90°
Cell volume	3224.4 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0403
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178641 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/52.	4075287.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075287.cif
49160	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075287 via cif-deposit CGI script.	4075287.cif