Crystallography Open Database

Information card for entry 1548162

Preview

Coordinates	1548162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H65 Au4 B Cl3 F4 N P4
Calculated formula	C81 H65 Au4 B Cl3 F4 N P4
SMILES	[Au]1([Au]([N]21C(=C([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc21)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(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	17.579 ± 0.004 Å
b	17.158 ± 0.003 Å
c	25.46 ± 0.005 Å
α	90°
β	101.8 ± 0.03°
γ	90°
Cell volume	7517 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1437
Residual factor for significantly intense reflections	0.1162
Weighted residual factors for significantly intense reflections	0.2724
Weighted residual factors for all reflections included in the refinement	0.3049
Goodness-of-fit parameter for all reflections included in the refinement	1.205
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
203480 (current)	2017-11-23	cif/ Adding structures of 1548162 via cif-deposit CGI script.	1548162.cif