Crystallography Open Database

Information card for entry 4333558

Preview

Coordinates	4333558.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Mes3P)Au(cyclooctyne)][SbF6]
Formula	C35.5 H46 Au Cl F6 P Sb
Calculated formula	C35.5 H46 Au Cl F6 P Sb
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	11.8942 ± 0.0013 Å
b	15.9993 ± 0.0018 Å
c	19.68 ± 0.002 Å
α	79.001 ± 0.001°
β	86.028 ± 0.001°
γ	77.996 ± 0.001°
Cell volume	3594.2 ± 0.7 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	0.0705
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333558.cif
99353	2014-01-31	cif/ Adding structures of 4333558 via cif-deposit CGI script.	4333558.cif