Crystallography Open Database

Information card for entry 4314036

Preview

Coordinates	4314036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Au O2 P3 S2
Calculated formula	C48 H46 Au O2 P3 S2
SMILES	[Au]1([S]=P(S1)(OC1CCCC1)c1ccc(cc1)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Syntheses and Structures of Dinuclear Gold(I) Dithiophosphonate Complexes and the Reaction of the Dithiophosphonate Complexes with Phosphines: Diverse Coordination Types
Authors of publication	Angelo Maspero; Ibrahim Kani; Ahmed A. Mohamed; Mohammad A. Omary; Richard J. Staples; John P. Fackler
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5311 - 5319
a	10.7834 ± 0.0002 Å
b	13.4375 ± 0.0003 Å
c	15.2389 ± 0.0002 Å
α	79.013 ± 0.001°
β	79.385 ± 0.001°
γ	88.913 ± 0.001°
Cell volume	2130.28 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
179209 (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 4/31/40.	4314036.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314036.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314036.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' ) &	4314036.cif
7108	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4314036 via cif-deposit CGI script.	4314036.cif