Information card for entry 4079971

Structure parameters

• Formula: C33 H32 Cl N3 O Ru
• Calculated formula: C33 H32 Cl N3 O Ru
• SMILES: [Ru]123456(Cl)(Oc7n(nc(c7C(=[N]1c1ccccc1)c1ccccc1)C)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands
• Authors of publication: Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 309
• a: 11.7238 ± 0.0015 Å
• b: 9.7832 ± 0.0007 Å
• c: 13.0606 ± 0.0016 Å
• α: 90°
• β: 111.39 ± 0.01°
• γ: 90°
• Cell volume: 1394.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No