Crystallography Open Database

Information card for entry 4087865

Preview

Coordinates	4087865.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPh3)Au(MeCN)POM
Formula	C108 H102 Au5 N9 O64 P7 W18
Calculated formula	C108 H102 Au5 N9 O64 P7 W18
Title of publication	Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts
Authors of publication	Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5065
a	20.4409 ± 0.0005 Å
b	20.5221 ± 0.0005 Å
c	20.9542 ± 0.0003 Å
α	87.881 ± 0.001°
β	77.569 ± 0.001°
γ	60.694 ± 0.001°
Cell volume	7461.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
237063 (current)	2019-11-24	cif/ Adding structures of 4087865 via cif-deposit CGI script.	4087865.cif