Crystallography Open Database

Information card for entry 4307501

Preview

Coordinates	4307501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H10 F12 Hg3
Calculated formula	C31 H10 F12 Hg3
SMILES	[Hg]1c2c([Hg]c3c([Hg]c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.c1cccc2c1Cc1ccccc21
Title of publication	Enhancement of External Spin-Orbit Coupling Effects Caused by Metal-Metal Cooperativity
Authors of publication	Charlotte N. Burress; Martha I. Bodine; Oussama Elbjeirami; Joseph H. Reibenspies; Mohammad A. Omary; François P. Gabbaï
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1388 - 1395
a	7.0469 ± 0.0014 Å
b	44.805 ± 0.009 Å
c	17.337 ± 0.004 Å
α	90°
β	91.36 ± 0.03°
γ	90°
Cell volume	5472 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0505
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179113 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/75.	4307501.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307501.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307501.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307501.cif