Information card for entry 2232411

Structure parameters

• Chemical name: (μ-Piperazine-1,4-dicarbodithioato- κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^) bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate
• Formula: C80 H70 Au2 Cl6 N2 P4 S4
• Calculated formula: C80 H70 Au2 Cl6 N2 P4 S4
• SMILES: C1(N2CCN(C3=[S][Au]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)S3)CC2)=[S][Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: (μ-Piperazine-1,4-dicarbodithioato-κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^)bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Lillywhite, Stacy; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1629 - m1630
• a: 12.8455 ± 0.0017 Å
• b: 13.2879 ± 0.001 Å
• c: 13.4197 ± 0.0009 Å
• α: 119.572 ± 0.002°
• β: 101.544 ± 0.002°
• γ: 96.039 ± 0.002°
• Cell volume: 1895.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes