Crystallography Open Database

Information card for entry 4070649

Preview

Coordinates	4070649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H29 Au N3 P
Calculated formula	C41 H29 Au N3 P
SMILES	[Au](C#Cc1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	8.6401 ± 0.0004 Å
b	9.4232 ± 0.0004 Å
c	19.5947 ± 0.0008 Å
α	85.165 ± 0.002°
β	86.406 ± 0.002°
γ	85.237 ± 0.002°
Cell volume	1581.69 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0152
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
178595 (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 4/07/06.	4070649.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070649.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070649.cif
42617	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070649 via cif-deposit CGI script.	4070649.cif