Information card for entry 2011016

Structure parameters

• Chemical name: (Piperidine-1-carbodithioato-S,S')bis(triphenylphosphine-P)gold(I)
• Formula: C42 H40 Au N P2 S2
• Calculated formula: C42 H40 Au N P2 S2
• SMILES: [Au]1(SC(=[S]1)N1CCCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Piperidine-1-carbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I)
• Authors of publication: Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 666 - 667
• a: 10.1318 ± 0.0002 Å
• b: 13.2019 ± 0.0002 Å
• c: 14.9565 ± 0.0005 Å
• α: 77.207 ± 0.001°
• β: 80.992 ± 0.002°
• γ: 76.834 ± 0.002°
• Cell volume: 1887.72 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes