Crystallography Open Database

Information card for entry 4115706

Preview

Coordinates	4115706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Au3 F6 N3 O3
Calculated formula	C36 H36 Au3 F6 N3 O3
SMILES	[Au]1C(OCC)=[N](c2ccc(cc2)C)[Au]C(OCC)=[N](c2ccc(cc2)C)[Au]C(OCC)=[N]1c1ccc(cc1)C.c1(c(c(c(c(c1F)F)F)F)F)F
Title of publication	Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids
Authors of publication	Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	9689 - 9691
a	7.3364 ± 0.0012 Å
b	35.272 ± 0.006 Å
c	14.356 ± 0.002 Å
α	90°
β	99.804 ± 0.003°
γ	90°
Cell volume	3660.6 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0404
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178928 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/57.	4115706.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115706.cif
69428	2012-12-14	cif/ Adding structures of 4115706 via cif-deposit CGI script.	4115706.cif