Crystallography Open Database

Information card for entry 4075289

Preview

Coordinates	4075289.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ph(CC)6Ph-2[(o-C6F4Hg)3]
Formula	C31 H7 Cl2 F12 Hg3
Calculated formula	C31 H7 Cl2 F12 Hg3
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	9.6848 ± 0.0019 Å
b	7.1522 ± 0.0014 Å
c	43.542 ± 0.009 Å
α	90°
β	95.49 ± 0.03°
γ	90°
Cell volume	3002.2 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0849
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	4075289.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075289.cif
49162	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075289 via cif-deposit CGI script.	4075289.cif