Information card for entry 4341293

Structure parameters

• Formula: C23 H29 Cl2 N3 O2 Ru
• Calculated formula: C23 H29 Cl2 N3 O2 Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7c7[n]1c1ccccc1n7C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-].O.O
• Title of publication: Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.
• Authors of publication: Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11274 - 11288
• a: 18.343 ± 0.004 Å
• b: 8.0292 ± 0.0016 Å
• c: 16.932 ± 0.003 Å
• α: 90°
• β: 111.272 ± 0.004°
• γ: 90°
• Cell volume: 2323.8 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No