Crystallography Open Database

Information card for entry 4307502

Preview

Coordinates	4307502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H8 F10 Hg
Calculated formula	C22 H8 F10 Hg
SMILES	c1cccc2c1cccc2.[Hg](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
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	9.948 ± 0.002 Å
b	6.8142 ± 0.0014 Å
c	14.627 ± 0.003 Å
α	90°
β	105.33 ± 0.03°
γ	90°
Cell volume	956.3 ± 0.4 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	0.0354
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0827
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
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.	4307502.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307502.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307502.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307502.cif