Crystallography Open Database

Information card for entry 4068896

Preview

Coordinates	4068896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H46 Au F6 N2 O Sb
Calculated formula	C37 H46 Au F6 N2 O Sb
SMILES	[Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C(/C=C/c1ccccc1)OC.[F-][Sb](F)(F)(F)(F)F
Title of publication	Carbene Transfer Reactions from Chromium(0) to Gold(I): Synthesis and Reactivity of New Fischer-Type Gold(I) Alkenyl Carbene Complexes
Authors of publication	Fañanás-Mastral, Martín; Aznar, Fernando
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	666
a	15.8444 ± 0.0004 Å
b	11.8912 ± 0.0003 Å
c	21.7225 ± 0.0005 Å
α	90°
β	106.277 ± 0.002°
γ	90°
Cell volume	3928.67 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178578 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88.	4068896.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068896.cif
40026	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068896 via cif-deposit CGI script.	4068896.cif