Information card for entry 7031811

Structure parameters

• Common name: [Au(CS2N3)2]Na(H2O)3
• Formula: C2 H6 Au N6 Na O3 S4
• Calculated formula: C2 H6 Au N6 Na O3 S4
• SMILES: [Au](Sc1snnn1)Sc1snnn1.[Na+].O.O.O
• Title of publication: Formation and structure of two luminescent salts of [Au(SCSN3)2](-) obtained through the [2 + 3] cyclization of carbon disulfide and azide ion.
• Authors of publication: Lim, Sang Ho; Schmitt, Jennifer C.; Shearer, Jason; England, Kellie R.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13756 - 13763
• a: 3.708 ± 0.0002 Å
• b: 12.4015 ± 0.0008 Å
• c: 14.0245 ± 0.0009 Å
• α: 101.514 ± 0.002°
• β: 93.48 ± 0.002°
• γ: 98.455 ± 0.002°
• Cell volume: 622.36 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No