Crystallography Open Database

Information card for entry 4074898

Preview

Coordinates	4074898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Ag Au P2
Calculated formula	C22 H22 Ag Au 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	6.4292 ± 0.0002 Å
b	18.6655 ± 0.0004 Å
c	19.2969 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2315.71 ± 0.11 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
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.	4074898.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074898.cif
48948	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074898 via cif-deposit CGI script.	4074898.cif