Crystallography Open Database

Information card for entry 4113398

Preview

Coordinates	4113398.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(methyl isocyanide) gold PF6
Formula	C4 H6 Au F6 N2 P
Calculated formula	C4 H6 Au F6 N2 P
SMILES	[Au](C#[N]C)C#[N]C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence
Authors of publication	Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	1033 - 1040
a	9.8097 ± 0.0007 Å
b	9.8097 ± 0.0007 Å
c	9.8097 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	943.99 ± 0.12 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
178904 (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 4/11/33.	4113398.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113398.cif
66630	2012-09-12	cif/ Adding structures of 4113398 via cif-deposit CGI script.	4113398.cif