Crystallography Open Database

Information card for entry 4341866

Preview

Coordinates	4341866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H80 Au4 F12 O2 P8 S2
Calculated formula	C82 H80 Au4 F12 O2 P8 S2
SMILES	[Au]([P](c1ccccc1)(C1)C[P]([Au][P](c2ccccc2)(c2ccccc2)C[P]([Au]Sc2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au][P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
Title of publication	Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.
Authors of publication	Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141201154356007
a	12.7994 ± 0.0003 Å
b	13.044 ± 0.0003 Å
c	14.711 ± 0.0004 Å
α	89.475 ± 0.001°
β	70.126 ± 0.001°
γ	64.425 ± 0.001°
Cell volume	2055.9 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341866.cif
128257	2014-12-06	cif/ Adding structures of 4341859, 4341860, 4341861, 4341862, 4341863, 4341864, 4341865, 4341866 via cif-deposit CGI script.	4341866.cif