Crystallography Open Database

Information card for entry 4088167

Preview

Coordinates	4088167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 Au F4 N P
Calculated formula	C32 H25 Au F4 N P
SMILES	[Au]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1c1ncccc1
Title of publication	C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands
Authors of publication	Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	629
a	11.5942 ± 0.0005 Å
b	12.8526 ± 0.0005 Å
c	18.8541 ± 0.0007 Å
α	90°
β	105.953 ± 0.002°
γ	90°
Cell volume	2701.35 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0572
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
237325 (current)	2019-11-24	cif/ Adding structures of 4088167 via cif-deposit CGI script.	4088167.cif