Crystallography Open Database

Information card for entry 4336612

Preview

Coordinates	4336612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H21 Au F N O
Calculated formula	C32 H21 Au F N O
SMILES	[Au]12(c3c(c4[n]1c(c1c2cccc1)cc(c4)c1ccc(F)cc1)cccc3)C#Cc1ccc(OC)cc1
Title of publication	Functionalized Bis-Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, Electrochemistry, Photophysics, Photochemistry, and Electroluminescence Studies
Authors of publication	Vonika Ka-Man Au; Daniel Ping-Kuen Tsang; Keith Man-Chung Wong; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12713 - 12725
a	7.5267 ± 0.0002 Å
b	14.4607 ± 0.0004 Å
c	22.1759 ± 0.0006 Å
α	92.502 ± 0.002°
β	92.804 ± 0.002°
γ	100.828 ± 0.001°
Cell volume	2364.4 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0432
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336612.cif
102618	2014-02-21	cif/ Adding structures of 4336612 via cif-deposit CGI script.	4336612.cif