Information card for entry 2011284

Structure parameters

• Chemical name: [(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane Solvate
• Formula: C47 H54 Au N P2 S2
• Calculated formula: C47 H54 Au N P2 S2
• SMILES: [Au]1([S]=C(S1)N(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CCCC
• Title of publication: (<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I) butane solvate
• Authors of publication: Jian, Fangfang; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 939 - 940
• a: 12.0927 ± 0.0002 Å
• b: 25.2129 ± 0.0005 Å
• c: 15.4999 ± 0.0003 Å
• α: 90°
• β: 102.392 ± 0.001°
• γ: 90°
• Cell volume: 4615.7 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes