Information card for entry 4330655

Structure parameters

• Common name: tt3274
• Chemical name: tt3274
• Formula: C25 H49 Cl P2 Ru
• Calculated formula: C25 H49 Cl P2 Ru
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]12345([P](CCC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)Cl)C)C)C)C
• 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: 33.862 ± 0.0014 Å
• b: 8.3781 ± 0.0003 Å
• c: 19.8445 ± 0.0008 Å
• α: 90°
• β: 110.85 ± 0.004°
• γ: 90°
• Cell volume: 5261.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No