Crystallography Open Database

Information card for entry 7035503

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Structure parameters

Formula	C24 H61 Au2 N4 Na6 O29 S8
Calculated formula	C24 H61 Au2 N4 Na6 O29 S8
SMILES	c1(nc(c(CC(=O)[O-])s1)C)S[Au]Sc1nc(c(CC(=O)[O-])s1)C.O.[Na+].O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.O
Title of publication	Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.
Authors of publication	Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13641 - 13650
a	11.1423 ± 0.00014 Å
b	26.799 ± 0.0003 Å
c	38.4479 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	11480.6 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.375
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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