Crystallography Open Database

Information card for entry 1518211

Preview

Coordinates	1518211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Au Cl2 F6 N
Calculated formula	C27 H20 Au Cl2 F6 N
SMILES	c1cccc2c3ccc(cc3[Au](c3ccc(cc3)C(F)(F)F)(c3ccc(cc3)C(F)(F)F)[n]12)C.C(Cl)Cl
Title of publication	Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)
Authors of publication	Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	981
a	9.334 ± 0.0011 Å
b	11.4331 ± 0.0013 Å
c	12.8416 ± 0.0017 Å
α	73.407 ± 0.004°
β	81.938 ± 0.004°
γ	73.869 ± 0.003°
Cell volume	1258.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518211.cif
130955	2015-02-04	cif/ Updating files of 1518209, 1518210, 1518211, 1518212, 1518213, 1518214, 1518215, 1518216, 1518217, 1518218 Original log message: Adding full bibliography for 1518209--1518218.cif.	1518211.cif
126577	2014-11-07	cif/ Adding structures of 1518209, 1518210, 1518211, 1518212, 1518213, 1518214, 1518215, 1518216, 1518217, 1518218 via cif-deposit CGI script.	1518211.cif