Information card for entry 2311304

Structure parameters

• Chemical name: [μ~2~-1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>:<i>P</i>']bis[(pyrrolidine-1-carbodithioato-κ<i>S</i>)gold(I)]
• Formula: C44 H44 Au2 Fe N2 P2 S4
• Calculated formula: C44 H44 Au2 Fe N2 P2 S4
• SMILES: [Au]([P]([c]12[cH]3[cH]4[cH]5[cH]2[Fe]26781345[c]1([cH]2[cH]6[cH]7[cH]81)[P](c1ccccc1)([Au]SC(=S)N1CCCC1)c1ccccc1)(c1ccccc1)c1ccccc1)SC(N1CCCC1)=S
• Title of publication: Crystal structure of [μ2-1,1'-bis-(di-phenyl-phos-phanyl)ferrocene-κ(2) P:P']bis-[(pyrrolidine-1-carbo-dithioato-κS)gold(I)].
• Authors of publication: Tan, Yee Seng; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 10
• Pages of publication: 1143 - 1146
• a: 10.9635 ± 0.0004 Å
• b: 14.972 ± 0.0005 Å
• c: 13.0087 ± 0.0004 Å
• α: 90°
• β: 102.977 ± 0.003°
• γ: 90°
• Cell volume: 2080.78 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No