Information card for entry 7026119

Structure parameters

• Formula: C29 H42 B Cl F3 N11 O3 P2 Ru S
• Calculated formula: C29 H42 B Cl F3 N11 O3 P2 Ru S
• SMILES: C1[N+]2(CN3C[P]1(CN(C3)C2)[Ru]12([n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)([P](C)(C)c1ccccc1)Cl)C.C(F)(F)(F)S(=O)(=O)[O-].CC#N.CC#N
• Title of publication: Antitumor activity of new hydridotris(pyrazolyl)borate ruthenium(II) complexes containing the phosphanes PTA and 1-CH3-PTA.
• Authors of publication: García-Fernández, Almudena; Díez, Josefina; Manteca, Angel; Sánchez, Jesús; García-Navas, Rósula; Sierra, Beatriz G.; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10186 - 10196
• a: 11.8579 ± 0.001 Å
• b: 13.2648 ± 0.0001 Å
• c: 14.3777 ± 0.0001 Å
• α: 62.978 ± 0.004°
• β: 76.385 ± 0.003°
• γ: 76.013 ± 0.004°
• Cell volume: 1934.15 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No