Information card for entry 4330653

Structure parameters

• Common name: tt3299
• Chemical name: tt3299
• Formula: C37 H58 F6 N3 O P3 Ru
• Calculated formula: C37 H58 F6 N3 O P3 Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]12345([N]#CC)[P]2(C(C)(C)C)CN(C[P]1(C(C)(C)C)CN(C2)Cc1ccccc1)Cc1ccccc1.CCOCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases
• Authors of publication: Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10916 - 10928
• a: 10.2885 ± 0.0002 Å
• b: 18.762 ± 0.0005 Å
• c: 20.8913 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4032.71 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No