Crystallography Open Database

Information card for entry 4064908

Preview

Coordinates	4064908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Au2 Br6 N4
Calculated formula	C9 H12 Au2 Br6 N4
SMILES	C1(N(C=CN1CN1C(N(C=C1)C)=[Au](Br)(Br)Br)C)=[Au](Br)(Br)Br
Title of publication	Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis
Authors of publication	Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4607
a	8.194 ± 0.003 Å
b	13.782 ± 0.004 Å
c	18.827 ± 0.006 Å
α	90°
β	82.507 ± 0.006°
γ	90°
Cell volume	2108 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064908.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064908.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064908.cif
33088	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064906, 4064907, 4064908, 4064909, 4064910 via cif-deposit CGI script.	4064908.cif