Crystallography Open Database

Information card for entry 1548163

Preview

Coordinates	1548163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H55 Au3 B Cl3 F4 N P3
Calculated formula	C69 H55 Au3 B Cl3 F4 N P3
SMILES	[Au]([N]([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C#Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-]
Title of publication	Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums
Authors of publication	Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	11489
a	17.519 ± 0.004 Å
b	19.67 ± 0.004 Å
c	20.326 ± 0.004 Å
α	76.07 ± 0.03°
β	81.79 ± 0.03°
γ	72.44 ± 0.03°
Cell volume	6463 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1548163.cif
203481	2017-11-23	cif/ Adding structures of 1548163 via cif-deposit CGI script.	1548163.cif