Crystallography Open Database

Information card for entry 4109282

Preview

Coordinates	4109282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 Au Cl N
Calculated formula	C25 H15 Au Cl N
SMILES	[Au]12(c3c(c4[n]1c(c1c2cccc1)ccc4)cccc3)C#Cc1ccc(Cl)cc1
Title of publication	A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)
Authors of publication	Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4350 - 4365
a	7.459 ± 0.0015 Å
b	9.641 ± 0.0019 Å
c	14.086 ± 0.003 Å
α	106.07 ± 0.03°
β	97.74 ± 0.03°
γ	94.98 ± 0.03°
Cell volume	956.3 ± 0.4 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.0425
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109282.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109282.cif
58047	2012-05-24	cif/ Adding structures of 4109282 via cif-deposit CGI script.	4109282.cif