Information card for entry 4341292

Structure parameters

• Formula: C22 H25 B Cl F4 N3 O Ru
• Calculated formula: C22 H25 B Cl F4 N3 O Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7c7[n]1c1c([nH]7)cccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.O.[B](F)(F)(F)[F-]
• 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: 8.34 ± 0.002 Å
• b: 10.076 ± 0.003 Å
• c: 14.514 ± 0.004 Å
• α: 98.068 ± 0.004°
• β: 100.09 ± 0.004°
• γ: 107.928 ± 0.004°
• Cell volume: 1117.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No