Crystallography Open Database

Information card for entry 1518213

Preview

Coordinates	1518213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Au N S2
Calculated formula	C27.9952 H19.997 Au N S1.9994
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	35.5669 ± 0.0009 Å
b	35.5669 ± 0.0009 Å
c	7.2973 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9231.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.399
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1518213.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.	1518213.cif
126577	2014-11-07	cif/ Adding structures of 1518209, 1518210, 1518211, 1518212, 1518213, 1518214, 1518215, 1518216, 1518217, 1518218 via cif-deposit CGI script.	1518213.cif