Information card for entry 4326358

Structure parameters

• Formula: C22 H19 Au Cl3 P Ti
• Calculated formula: C22 H19 Au Cl3 P Ti
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Ti]16782345([cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)Cl)[P](c1ccccc1)(c1ccccc1)[Au]Cl
• Title of publication: Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold-Titanium Complexes
• Authors of publication: Margot Wenzel; Benoît Bertrand; Marie-Joëlle Ondel-Eymin; Virginie Comte; Jennifer A. Harvey; Philippe Richard; Michael Groessl; Olivier Zava; Hedi Amrouche; Pierre D. Harvey; Pierre Le Gendre; Michel Picquet; Angela Casini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9472 - 9480
• a: 18.9966 ± 0.0003 Å
• b: 18.5304 ± 0.0003 Å
• c: 13.0245 ± 0.0002 Å
• α: 90°
• β: 107.432 ± 0.001°
• γ: 90°
• Cell volume: 4374.25 ± 0.12 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No