Crystallography Open Database

Information card for entry 4315757

Preview

Coordinates	4315757.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	rpVL815
Formula	C63 H63 Au Cl O4 Sb3
Calculated formula	C63 H63 Au Cl O4 Sb3
SMILES	[Au]([Sb](c1c(cc(C)cc1C)C)(c1ccccc1)c1ccccc1)([Sb](c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)[Sb](c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
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	22.1544 ± 0.0003 Å
b	22.1544 ± 0.0003 Å
c	22.1544 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10873.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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.	4315757.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315757.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315757.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' ) &	4315757.cif
8917	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315757 via cif-deposit CGI script.	4315757.cif