Crystallography Open Database

Information card for entry 4312827

Preview

Coordinates	4312827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Au2 Cl2 N P2
Calculated formula	C48 H52 Au2 Cl2 N P3
SMILES	[Au](Cl)[P]([Au]Cl)(C1CCCCC1)C1CCCCC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Gold(I) Phosphido Complexes: Synthesis, Structure, and Reactivity
Authors of publication	Diana M. Stefanescu; Holming F. Yuen; David S. Glueck; James A. Golen; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8891 - 8901
a	9.4506 ± 0.0011 Å
b	18.557 ± 0.002 Å
c	25.781 ± 0.003 Å
α	90°
β	93.412 ± 0.003°
γ	90°
Cell volume	4513.3 ± 0.9 Å³
Cell temperature	219 ± 2 K
Ambient diffraction temperature	219 ± 2 K
Number of distinct elements	6
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	0.0387
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179167 (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 4/31/28.	4312827.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312827.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312827.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' ) &	4312827.cif
5890	2011-01-07	../uploads/cif-deposit/cod/cif Adding structures of 4312827 via cif-deposit CGI script.	4312827.cif