Crystallography Open Database

Information card for entry 4333554

Preview

Coordinates	4333554.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(SIDipp)Au(CNtBu)][SbF6]
Formula	C34 H51 Au Cl4 F6 N3 Sb
Calculated formula	C34 H51 Au Cl4 F6 N3 Sb
SMILES	[Au](C#[N]C(C)(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)CCN1c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F.C(Cl)Cl.C(Cl)Cl
Title of publication	End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines
Authors of publication	Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	729 - 742
a	12.41 ± 0.004 Å
b	14.622 ± 0.004 Å
c	23.418 ± 0.007 Å
α	82.18 ± 0.004°
β	82.853 ± 0.003°
γ	85.706 ± 0.004°
Cell volume	4170 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179438 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333554.cif
99349	2014-01-31	cif/ Adding structures of 4333554 via cif-deposit CGI script.	4333554.cif