Crystallography Open Database

Information card for entry 4322344

Preview

Coordinates	4322344.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pt2Au2(dmb)2(PPh3)4](PF6)2
Formula	C48 H48 Au F6 N2 P3 Pt
Calculated formula	C48 H48 Au F6 N2 P3 Pt
Title of publication	Preparation, Spectroscopic Characterization, and Frontier MO Study of the Heteronuclear Luminescent [Pt2Au2(dmb)2(PPh3)4](PF6)2 Cluster (dmb = 1,8-Diisocyano-p-menthane). A Cluster with a Formal Au0-Au0 Bond Encapsulated inside a "Pt2(dmb)22+" Fragment
Authors of publication	Tianle Zhang; Marc Drouin; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4928 - 4936
a	12.0371 ± 0.0009 Å
b	14.0188 ± 0.0009 Å
c	15.3362 ± 0.0011 Å
α	63.79 ± 0.005°
β	80.348 ± 0.007°
γ	86.711 ± 0.007°
Cell volume	2288.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0617
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.5406 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179326 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/23.	4322344.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322344.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322344.cif
20615	2011-06-12	../uploads/cif-deposit/cod/cif Adding structures of 4322344 via cif-deposit CGI script.	4322344.cif