Crystallography Open Database

Information card for entry 7026412

Preview

Coordinates	7026412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Au2 Cl2 O2 P2
Calculated formula	C38 H32 Au2 Cl2 O2 P2
SMILES	[Au](Cl)[P](c1cccc(c1c1c(cccc1OC)[P](c1ccccc1)([Au]Cl)c1ccccc1)OC)(c1ccccc1)c1ccccc1
Title of publication	Chiral undecagold clusters: synthesis, characterization and investigation in catalysis.
Authors of publication	Andreiadis, Eugen S.; Vitale, Maxime R.; Mézailles, Nicolas; Le Goff, Xavier; Le Floch, Pascal; Toullec, Patrick Y.; Michelet, Véronique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10608 - 10616
a	10.462 ± 0.001 Å
b	10.462 ± 0.001 Å
c	27.906 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2645.2 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
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	0.0542
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179970 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/64.	7026412.cif
93492	2014-01-13	cif/ Adding structures of 7026412 via cif-deposit CGI script.	7026412.cif