Information card for entry 4330656

Structure parameters

• Common name: tt_4_13
• Chemical name: tt_4_13
• Formula: C25 H49 F6 O2 P3 Ru
• Calculated formula: C25 H49 F6 O2 P3 Ru
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345(OO1)[P](CCC[P]6(C(C)C)C(C)C)(C(C)C)C(C)C)C)C)C)C.[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: 9.9055 ± 0.0006 Å
• b: 19.7003 ± 0.0012 Å
• c: 15.1944 ± 0.001 Å
• α: 90°
• β: 92.242 ± 0.003°
• γ: 90°
• Cell volume: 2962.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No