Crystallography Open Database

Information card for entry 4074899

Preview

Coordinates	4074899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Ag3 Au3 P2
Calculated formula	C54 H48 Ag3 Au3 P2
Title of publication	Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study
Authors of publication	Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	4
Pages of publication	1004
a	33.0696 ± 0.0004 Å
b	9.9668 ± 0.0002 Å
c	18.6939 ± 0.0003 Å
α	90°
β	123.98 ± 0.0006°
γ	90°
Cell volume	5109.28 ± 0.15 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178637 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/48.	4074899.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074899.cif
48949	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074899 via cif-deposit CGI script.	4074899.cif