Crystallography Open Database

Information card for entry 4110950

Preview

Coordinates	4110950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H52 Au2 N2 O9 P2
Calculated formula	C47 H52 Au2 N2 O9 P2
Title of publication	Synthesis and Solution- and Solid-State Characterization of Gold(I) Rings with Short Au...Au Interactions. Spontaneous Resolution of a Gold(I) Complex
Authors of publication	Andrea Deák; Tünde Megyes; Gábor Tárkányi; Péter Király; László Biczók; Gábor Pálinkás; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12668 - 12670
a	10.553 ± 0.005 Å
b	16.745 ± 0.006 Å
c	12.475 ± 0.004 Å
α	90°
β	107.416 ± 0.016°
γ	90°
Cell volume	2103.4 ± 1.4 Å³
Cell temperature	136 ± 2 K
Ambient diffraction temperature	136 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110950.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110950.cif
59992	2012-06-14	cif/ Adding structures of 4110950 via cif-deposit CGI script.	4110950.cif