Information card for entry 1520638

Structure parameters

• Formula: C29 H24 Au Fe O2 P S
• Calculated formula: C29 H24 Au Fe O2 P S
• SMILES: [Au]([P]([c]12[Fe]3456789([cH]%10[cH]6[cH]3[cH]4[cH]5%10)[cH]([cH]17)[cH]9[cH]28)(c1ccccc1)c1ccccc1)Sc1ccc(cc1)C(=O)O
• Title of publication: Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo
• Authors of publication: Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5269
• a: 9.187 ± 0.0001 Å
• b: 9.964 ± 0.0002 Å
• c: 15.554 ± 0.0003 Å
• α: 108.411 ± 0.0011°
• β: 96.805 ± 0.0012°
• γ: 95.38 ± 0.0012°
• Cell volume: 1328.34 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No