Information card for entry 7222153

Structure parameters

• Formula: C5 H10 Au Cl2 N S2
• Calculated formula: C5 H10 Au Cl2 N S2
• SMILES: [Au]1(Cl)(Cl)[S]=C(S1)N(CC)CC
• Title of publication: Synthesis, characterization and in vitro cytotoxicity of gold(III) dialkyl/diaryldithiocarbamato complexes
• Authors of publication: Isab, A.; Altaf, Muhammad; Travnicek, Zdenek; Dvořák, Zdeněk; Stoeckli-Evans, Helen; Vanco, Jan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.2433 ± 0.0008 Å
• b: 7.0535 ± 0.0003 Å
• c: 17.2503 ± 0.001 Å
• α: 90°
• β: 97.718 ± 0.004°
• γ: 90°
• Cell volume: 2079.07 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No