Crystallography Open Database

Information card for entry 4315755

Preview

Coordinates	4315755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	VL-10 (CDCl3/hexane)
Formula	C57 H68 Au Cl6 F3 O3 S Sb2
Calculated formula	C57 H68 Au Cl6 F3 O3 S Sb2
SMILES	[Au]([Sb](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Sb](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Study of the Coordination Abilities of Stibine Ligands to Gold(I)
Authors of publication	Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5530 - 5541
a	14.0282 ± 0.0003 Å
b	17.8474 ± 0.0005 Å
c	24.6533 ± 0.0006 Å
α	90°
β	94.621 ± 0.002°
γ	90°
Cell volume	6152.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0948
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
179237 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/57.	4315755.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315755.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315755.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4315755.cif
8915	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315755 via cif-deposit CGI script.	4315755.cif