Information card for entry 7016397

Structure parameters

• Formula: C30 H26 Au2 Cl2 N4 O3 P2 S4
• Calculated formula: C30 H26 Au2 Cl2 N4 O3 P2 S4
• SMILES: C([P](c1sc2c(cccc2)n1)([Au]Cl)c1nc2c(s1)cccc2)C[P](c1sc2ccccc2n1)([Au]Cl)c1nc2c(cccc2)s1.O.O.O
• Title of publication: Gold(i) complexes of water-soluble diphos-type ligands: Synthesis, anticancer activity, apoptosis and thioredoxin reductase inhibition.
• Authors of publication: Wetzel, Corinna; Kunz, Peter C.; Kassack, Matthias U.; Hamacher, Alexandra; Böhler, Philip; Watjen, Wim; Ott, Ingo; Rubbiani, Riccardo; Spingler, Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9212 - 9220
• a: 8.0992 ± 0.0003 Å
• b: 9.9494 ± 0.0003 Å
• c: 11.4694 ± 0.0004 Å
• α: 94.26 ± 0.003°
• β: 93.131 ± 0.003°
• γ: 97.282 ± 0.003°
• Cell volume: 912.32 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No