Crystallography Open Database

Information card for entry 7114326

Preview

Coordinates	7114326.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AuTrien
Formula	C6 H17 Au2 Cl5 N4 O2
Calculated formula	C6 H21 Au2 Cl5 N4 O2
SMILES	[Au]12(Cl)[N]3([Au](Cl)(Cl)[NH2]CC3)CC[NH]2CC[NH2]1.[Cl-].[Cl-].O.O
Title of publication	Au2trien: a dinuclear gold(iii) complex with unprecedented structural features
Authors of publication	Messori, Luigi; Abbate, Francesco; Orioli, Pierluigi; Tempi, Caterina; Marcon, Giordana
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	6
Pages of publication	612
a	11.504 ± 0.005 Å
b	11.909 ± 0.005 Å
c	13.031 ± 0.005 Å
α	90 ± 0.5°
β	100.2 ± 0.5°
γ	90 ± 0.5°
Cell volume	1757 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.043
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188927 (current)	2016-12-06	cod/ (antanas@kurmis) Marking attached hydrogen atoms.	7114326.cif
180257	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/43.	7114326.cif
116686	2014-06-13	cif/ Adding structures of 7114326 via cif-deposit CGI script.	7114326.cif