Crystallography Open Database

Information card for entry 4313612

Preview

Coordinates	4313612.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclohexyl isocyanide gold cyanide
Formula	C8 H11 Au N2
Calculated formula	C8 H11 Au N2
SMILES	[Au](C#[N]C1CCCCC1)C#N
Title of publication	New Structural Motifs in the Aggregation of Neutral Gold(I) Complexes: Structures and Luminescence from (Alkyl isocyanide)AuCN
Authors of publication	Rochelle L. White-Morris; Matthias Stender; Dino S. Tinti; Alan L. Balch; Daniel Rios; Saeed Attar
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3237 - 3244
a	6.169 ± 0.007 Å
b	6.681 ± 0.007 Å
c	22.27 ± 0.02 Å
α	90°
β	93.65 ± 0.03°
γ	90°
Cell volume	916 ± 1.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1848
Weighted residual factors for all reflections included in the refinement	0.1989
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
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313612.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313612.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313612.cif
6681	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313612 via cif-deposit CGI script.	4313612.cif