Crystallography Open Database

Information card for entry 4073748

Preview

Coordinates	4073748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Au F6 N3 O4 S2
Calculated formula	C29 H36 Au F6 N3 O4 S2
SMILES	[Au](N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Reactivity of Air-Stable N-Heterocyclic Carbene Gold(I) Bis(trifluoromethanesulfonyl)imidate Complexes
Authors of publication	Ricard, Louis; Gagosz, Fabien
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	19
Pages of publication	4704
a	17.62 ± 0.001 Å
b	19.713 ± 0.001 Å
c	20.132 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6992.7 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178626 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/37.	4073748.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073748.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073748.cif
46526	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073748, 4073749, 4073750 via cif-deposit CGI script.	4073748.cif