Information card for entry 7041082

Structure parameters

• Formula: C28 H38 B F4 N6 O5 P Ru
• Calculated formula: C28 H38 B F4 N6 O5 P Ru
• SMILES: c1(ccc(cc1)N(=O)=O)N1C(=O)c2cccc[n]2[Ru]234561([c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C)[P]12CN3CN(C1)CN(C2)C3.O.O.[B](F)(F)(F)[F-]
• Title of publication: Fine tuning through valence bond tautomerization of ancillary ligands in ruthenium(ii) arene complexes for better anticancer activity and enzyme inhibition properties.
• Authors of publication: Mandal, Poulami; Malviya, Novina; Guedes da Silva, M Fátima C; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Mobin, Shaikh M.; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19277 - 19289
• a: 9.2108 ± 0.0007 Å
• b: 10.1314 ± 0.0008 Å
• c: 18.1559 ± 0.0012 Å
• α: 105.174 ± 0.003°
• β: 98.35 ± 0.003°
• γ: 92.197 ± 0.003°
• Cell volume: 1612.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No