Crystallography Open Database

Information card for entry 1513771

Preview

Coordinates	1513771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 Au2 Cl4 N P2
Calculated formula	C25 H23 Au2 Cl4 N P2
SMILES	CN1[P](c2ccccc2)(c2ccccc2)[Au]([Au]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(Cl)Cl
Title of publication	Exceptionally fast carbon-carbon bond reductive elimination from gold(III).
Authors of publication	Wolf, William J.; Winston, Matthew S.; Toste, F. Dean
Journal of publication	Nature chemistry
Year of publication	2014
Journal volume	6
Journal issue	2
Pages of publication	159 - 164
a	8.8394 ± 0.0008 Å
b	16.1038 ± 0.0014 Å
c	22.1064 ± 0.0019 Å
α	90°
β	100.248 ± 0.004°
γ	90°
Cell volume	3096.6 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	1513771.cif
106094	2014-03-14	cif/ Adding structures of 1513771 via cif-deposit CGI script.	1513771.cif