Crystallography Open Database

Information card for entry 4109286

Preview

Coordinates	4109286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 Au N
Calculated formula	C33 H32 Au N
SMILES	C(#Cc1ccccc1)[Au]12c3cc(ccc3c3[n]2c(c2c1cc(cc2)C(C)(C)C)ccc3)C(C)(C)C
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	19.335 ± 0.004 Å
b	19.732 ± 0.004 Å
c	7.172 ± 0.0014 Å
α	90°
β	99.76 ± 0.03°
γ	90°
Cell volume	2696.6 ± 1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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.	4109286.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109286.cif
58051	2012-05-24	cif/ Adding structures of 4109286 via cif-deposit CGI script.	4109286.cif