Crystallography Open Database

Information card for entry 4109943

Preview

Coordinates	4109943.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Platinum/Palladium Carbonyl Phosphine cluster
Formula	C450 H336 O78 P20 Pd157.2 Pt7.8
Calculated formula	C468 O84 P20 Pd157.16 Pt7.84
Title of publication	Nanosized (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ~ 7) Containing Pt-Centered Four-Shell 165-Atom Pd-Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands: Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd145(CO)x(PEt3)30 (x ~ 60) Containing Capped Three-Shell Pd145 Core
Authors of publication	Evgueni G. Mednikov; Matthew C. Jewell; Lawrence F. Dahl
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11619 - 11630
a	32.8615 ± 0.0008 Å
b	32.8615 ± 0.0008 Å
c	32.8615 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	35486.4 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.1671
Residual factor for significantly intense reflections	0.1112
Weighted residual factors for significantly intense reflections	0.3026
Weighted residual factors for all reflections included in the refinement	0.3553
Goodness-of-fit parameter for all reflections included in the refinement	1.374
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109943.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109943.cif
58722	2012-05-30	cif/ Adding structures of 4109943 via cif-deposit CGI script.	4109943.cif