Crystallography Open Database

Information card for entry 4114660

Preview

Coordinates	4114660.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au{C(NMe2)(NHMe)}2](PF6)
Formula	C8 H20 Au F6 N4 P
Calculated formula	C8 H20 Au F6 N4 P
SMILES	C(N(C)C)(NC)=[Au]=C(N(C)C)NC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes
Authors of publication	Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	2327 - 2336
a	12.2551 ± 0.0006 Å
b	7.2162 ± 0.0004 Å
c	8.5987 ± 0.0004 Å
α	90°
β	98.428 ± 0.001°
γ	90°
Cell volume	752.22 ± 0.07 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0143
Residual factor for significantly intense reflections	0.0143
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178917 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/46.	4114660.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114660.cif
68000	2012-10-11	cif/ Adding structures of 4114660 via cif-deposit CGI script.	4114660.cif