Information card for entry 7028481

Structure parameters

• Formula: C38 H29 F12 N7 O P2 Ru
• Calculated formula: C38 H29 F12 N7 O P2 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1cccc2C(c3ccc[n]4c3c12)=Nc1ccc(cc1)OC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Development of ruthenium(ii) complexes as topical antibiotics against methicillin resistant Staphylococcus aureus.
• Authors of publication: Lam, P.-L.; Lu, G.-L.; Hon, K.-M.; Lee, K.-W.; Ho, C.-L.; Wang, X.; Tang, J. C.-O.; Lam, K.-H.; Wong, R. S.-M.; Kok, S. H.-L.; Bian, Z.-X.; Li, H.; Lee, K. K.-H.; Gambari, R.; Chui, C.-H.; Wong, W.-Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3949 - 3957
• a: 17.6845 ± 0.0007 Å
• b: 17.6845 ± 0.0007 Å
• c: 12.6644 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3960.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No