Information card for entry 7016841

Structure parameters

• Formula: C28 H28 Au N4 P S
• Calculated formula: C28 H28 Au N4 P S
• SMILES: [Au](S\C(N(C)C)=N/N=C(/c1ccccn1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.
• Authors of publication: Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9810 - 9820
• a: 23.6881 ± 0.0005 Å
• b: 12.9308 ± 0.0003 Å
• c: 18.0223 ± 0.0004 Å
• α: 90°
• β: 99.015 ± 0.002°
• γ: 90°
• Cell volume: 5452.1 ± 0.2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No