Crystallography Open Database

Information card for entry 4315756

Preview

Coordinates	4315756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 Au F6 Sb3
Calculated formula	C54 H66 Au F6 Sb3
SMILES	[F-][Sb](F)(F)(F)(F)F.[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
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	15.574 ± 0.008 Å
b	15.574 ± 0.008 Å
c	20.34 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	4272 ± 5 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.323
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4315756.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315756.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315756.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' ) &	4315756.cif
8916	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315756 via cif-deposit CGI script.	4315756.cif