Crystallography Open Database

Information card for entry 4341859

Preview

Coordinates	4341859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H94 Au4 F12 O3 P8
Calculated formula	C91 H94 Au4 F12 O3 P8
SMILES	C(#Cc1ccccc1)[Au][P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)([Au]C#Cc2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au][P](C1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O(CC)CC.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
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	32.1993 ± 0.0005 Å
b	13.8892 ± 0.0002 Å
c	22.3049 ± 0.0003 Å
α	90°
β	116.198 ± 0.001°
γ	90°
Cell volume	8950.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4341859.cif
128257	2014-12-06	cif/ Adding structures of 4341859, 4341860, 4341861, 4341862, 4341863, 4341864, 4341865, 4341866 via cif-deposit CGI script.	4341859.cif