Crystallography Open Database

Information card for entry 4341864

Preview

Coordinates	4341864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H80 Au4 Cl2 O10 P6
Calculated formula	C80 H80 Au4 Cl2 O10 P6
SMILES	C(#CC1(CCCCC1)O)[Au][P]1(c2ccccc2)C[P](c2ccccc2)([Au][P](c2ccccc2)(c2ccccc2)C[P]([Au]C#CC2(CCCCC2)O)(C[P](c2ccccc2)(c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)C1)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
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	18.1811 ± 0.0003 Å
b	19.7386 ± 0.0002 Å
c	22.4595 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8060.03 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4341864.cif
128257	2014-12-06	cif/ Adding structures of 4341859, 4341860, 4341861, 4341862, 4341863, 4341864, 4341865, 4341866 via cif-deposit CGI script.	4341864.cif