Information card for entry 7014475

Structure parameters

• Formula: C24 H45 Cl2 F9 N9 O11 P3 Ru S3
• Calculated formula: C24 H45 Cl2 F9 N9 O11 P3 Ru S3
• SMILES: [Ru]([P]12CN3CN(C1)C[N+](C2)(C3)C)([P]12CN3C[N+](C2)(CN(C1)C3)C)([P]12CN3CN(C1)C[N+](C2)(C3)C)([OH2])(Cl)Cl.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].O
• Title of publication: Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA = N-methyl-1,3,5-triaza-7-phosphaadamantane).
• Authors of publication: Girotti, Rugiada; Romerosa, Antonio; Mañas, Sonia; Serrano-Ruiz, Manuel; Perutz, Robin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 828 - 836
• a: 13.246 ± 0.005 Å
• b: 13.399 ± 0.005 Å
• c: 14.017 ± 0.005 Å
• α: 72.418 ± 0.005°
• β: 71.313 ± 0.005°
• γ: 89.16 ± 0.005°
• Cell volume: 2237.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No