Information card for entry 7035502

Structure parameters

• Formula: C24 H44 Au2 N4 Na6 O20 S8
• Calculated formula: C24 H44 Au2 N4 Na6 O20 S8
• SMILES: c1(nc(c(CC(=O)[O-])s1)C)S[Au]Sc1sc(c(n1)C)CC(=O)[O-].[Na+].O.O.[Na+].[Na+].O.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: 11.8332 ± 0.0004 Å
• b: 21.4246 ± 0.0008 Å
• c: 18.7942 ± 0.0006 Å
• α: 90°
• β: 91.843 ± 0.003°
• γ: 90°
• Cell volume: 4762.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 0 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No