Crystallography Open Database

Information card for entry 1513770

Preview

Coordinates	1513770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H17 Au F P
Calculated formula	C19.5 H17 Au F P
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	23.0127 ± 0.0011 Å
b	9.31 ± 0.0005 Å
c	19.0897 ± 0.0009 Å
α	90°
β	126.337 ± 0.001°
γ	90°
Cell volume	3294.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0123
Residual factor for significantly intense reflections	0.0122
Weighted residual factors for significantly intense reflections	0.0322
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for all reflections included in the refinement	1.213
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513770.cif
106093	2014-03-14	cif/ Adding structures of 1513770 via cif-deposit CGI script.	1513770.cif