Crystallography Open Database

Information card for entry 4334385

Preview

Coordinates	4334385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 Au Br N4
Calculated formula	C16 H26 Au Br N4
SMILES	[Au]1=C2N(C=CN2CCCCCCCCN2C=1N(C=C2)C)C.[Br-].[Br-]
Title of publication	Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands
Authors of publication	Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4071 - 4083
a	11.3478 ± 0.0008 Å
b	18.1962 ± 0.0013 Å
c	18.3462 ± 0.0013 Å
α	90°
β	103.553 ± 0.002°
γ	90°
Cell volume	3682.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0183
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334385.cif
100203	2014-02-04	cif/ Adding structures of 4334385 via cif-deposit CGI script.	4334385.cif