Information card for entry 7212852

Structure parameters

• Common name: gold(iii) bis(4,5-diamido-2-oxo-1,3-dithiolate) melaminium
• Formula: C20 H33 Au N16 O8 S4
• Calculated formula: C20 H33 Au N16 O8 S4
• SMILES: [Au]12(SC3=C(S1)C(=O)NC3=O)SC1=C(S2)C(=O)NC1=O.n1c(N)nc(nc1N)N.[nH+]1c(N)nc(N)nc1N.O=CN(C)C.O=CN(C)C.O.O
• Title of publication: The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex
• Authors of publication: Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4268
• a: 8.013 ± 0.001 Å
• b: 13.059 ± 0.001 Å
• c: 17.0873 ± 0.0016 Å
• α: 101.236 ± 0.008°
• β: 96.662 ± 0.007°
• γ: 100.106 ± 0.006°
• Cell volume: 1705.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No