Information card for entry 4304693

Structure parameters

• Formula: C20 H29 Au N2 O4 S2
• Calculated formula: C20 H29 Au N2 O4 S2
• SMILES: [Au](C#[N]c1c(cccc1C)C)SC(=S)N1CCOCCOCCOCCOCC1
• Title of publication: Mononuclear, Dinuclear, and Hexanuclear Gold(I) Complexes with (aza-15-crown-5)Dithiocarbamate
• Authors of publication: Javier Arias; Manuel Bardají; Pablo Espinet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1597 - 1606
• a: 7.5764 ± 0.0016 Å
• b: 10.315 ± 0.002 Å
• c: 29.397 ± 0.006 Å
• α: 90°
• β: 92.202 ± 0.004°
• γ: 90°
• Cell volume: 2295.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No