Information card for entry 4089075

Structure parameters

• Formula: C32 H39 Cl O3 Ru
• Calculated formula: C32 H39 Cl O3 Ru
• Title of publication: From Sunscreen to Anticancer Agent: Ruthenium(II) Arene Avobenzone Complexes Display Potent Anticancer Activity
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Petrini, Agnese; Pettinari, Claudio; Lupidi, Giulio; Smoleński, Piotr; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3734
• a: 14.749 ± 0.003 Å
• b: 25.236 ± 0.003 Å
• c: 15.471 ± 0.002 Å
• α: 90°
• β: 91.638 ± 0.013°
• γ: 90°
• Cell volume: 5756 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No