Crystallography Open Database

Information card for entry 4070651

Preview

Coordinates	4070651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H47 Au2 N4 O0.5 P2
Calculated formula	C52 H42 Au2 N4 P2
Title of publication	Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups
Authors of publication	Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	646
a	13.552 ± 0.0014 Å
b	14.052 ± 0.0016 Å
c	15.189 ± 0.0016 Å
α	69.737 ± 0.005°
β	66.133 ± 0.005°
γ	66.901 ± 0.005°
Cell volume	2371.8 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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
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.	4070651.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070651.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070651.cif
42619	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070651 via cif-deposit CGI script.	4070651.cif