Crystallography Open Database

Information card for entry 4313613

Preview

Coordinates	4313613.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[n-BuNCAuCN]n
Formula	C6 H9 Au N2
Calculated formula	C6 H9 Au N2
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	21.828 ± 0.002 Å
b	10.9685 ± 0.0009 Å
c	6.7094 ± 0.0005 Å
α	90°
β	103.975 ± 0.003°
γ	90°
Cell volume	1558.8 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0244
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4313613.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313613.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313613.cif
6682	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313613 via cif-deposit CGI script.	4313613.cif