Information card for entry 4085174

Structure parameters

• Formula: C24 H27 F6 N3 O8 Ru S2
• Calculated formula: C24 H27 F6 N3 O8 Ru S2
• SMILES: [Ru]123456([n]7ccccc7c7[n]1c1c([nH]7)cccc1)([OH2])[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].O
• Title of publication: Monomer–Dimer Divergent Behavior toward DNA in a Half-Sandwich Ruthenium(II) Aqua Complex. Antiproliferative Biphasic Activity
• Authors of publication: Busto, Natalia; Martínez-Alonso, Marta; Leal, José M.; Rodríguez, Ana M.; Domínguez, Fernando; Acuña, M Isabel; Espino, Gustavo; García, Begoña
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 319
• a: 9.4783 ± 0.0011 Å
• b: 32.077 ± 0.004 Å
• c: 10.0286 ± 0.0012 Å
• α: 90°
• β: 94.168 ± 0.002°
• γ: 90°
• Cell volume: 3041 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No