Information card for entry 7015175

Structure parameters

• Common name: work
• Formula: C5 H8 N2 S
• Calculated formula: C5 H8 N2 S
• SMILES: S1C(N(C(=C1)C)C)=N
• Title of publication: Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.
• Authors of publication: Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1471 - 1483
• a: 6.9494 ± 0.0014 Å
• b: 13.498 ± 0.003 Å
• c: 14.301 ± 0.003 Å
• α: 108.286 ± 0.003°
• β: 101.346 ± 0.003°
• γ: 91.652 ± 0.003°
• Cell volume: 1242.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No