Crystallography Open Database

Information card for entry 4309210

Preview

Coordinates	4309210.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Au3[CH3(CH2)4N=COCH3]3
Formula	C21 H42 Au3 N3 O3
Calculated formula	C21 H42 Au3 N3 O3
SMILES	[Au]1C(=[N]([Au]C(=[N]([Au]C(=[N]1CCCCC)OC)CCCCC)OC)CCCCC)OC
Title of publication	Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3
Authors of publication	Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5021 - 5029
a	23.066 ± 0.012 Å
b	24.294 ± 0.013 Å
c	9.663 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5415 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2498
Weighted residual factors for all reflections included in the refinement	0.2777
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
179130 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/92.	4309210.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309210.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309210.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309210.cif