Information card for entry 4084596

Structure parameters

• Formula: C40 H36 Au2 Cl8 O4 P2 Ti
• Calculated formula: C40 H36 Au2 Cl8 O4 P2 Ti
• SMILES: [Au](Cl)[P](CC(=O)O[Ti]12345678(OC(=O)C[P]([Au]Cl)(c9ccccc9)c9ccccc9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Organometallic Titanocene-Gold Compounds as Potential Chemotherapeutics in Renal Cancer. Study of their Protein Kinase Inhibitory Properties.
• Authors of publication: Fernández-Gallardo, Jacob; Elie, Benelita T.; Sulzmaier, Florian J.; Sanaú, Mercedes; Ramos, Joe W.; Contel, María
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6669 - 6681
• a: 10.298 ± 0.002 Å
• b: 14.924 ± 0.003 Å
• c: 15.579 ± 0.003 Å
• α: 84.15 ± 0.03°
• β: 80.48 ± 0.03°
• γ: 79.55 ± 0.03°
• Cell volume: 2315.8 ± 0.8 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: 0.1089
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No