Crystallography Open Database

Information card for entry 4114659

Preview

Coordinates	4114659.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au{C(NHMe)2}2].BF4
Formula	C6 H16 Au B F4 N4
Calculated formula	C6 H16 Au B F4 N4
SMILES	C(NC)(=[Au]=C(NC)NC)NC.[B](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	11.9132 ± 0.0007 Å
b	14.6089 ± 0.0009 Å
c	6.8923 ± 0.0004 Å
α	90°
β	94.588 ± 0.001°
γ	90°
Cell volume	1195.68 ± 0.12 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0358
Weighted residual factors for all reflections included in the refinement	0.0361
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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.	4114659.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114659.cif
67999	2012-10-11	cif/ Adding structures of 4114659 via cif-deposit CGI script.	4114659.cif