Crystallography Open Database

Information card for entry 4336611

Preview

Coordinates	4336611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 Au F2 N O
Calculated formula	C32 H20 Au F2 N O
SMILES	C(#Cc1ccc(cc1)OC)[Au]12c3c(c4cc(cc(c5c1cccc5)[n]24)c1c(ccc(c1)F)F)cccc3
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	10.474 ± 0.002 Å
b	14.057 ± 0.003 Å
c	16.738 ± 0.003 Å
α	90°
β	97.82 ± 0.02°
γ	90°
Cell volume	2441.5 ± 0.8 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4336611.cif
102617	2014-02-21	cif/ Adding structures of 4336611 via cif-deposit CGI script.	4336611.cif