Information card for entry 4074751

Structure parameters

• Formula: C71 H168 I6 N3 P6 Ru3 Si6
• Calculated formula: C71 H168 I6 N3 P6 Ru3 Si6
• Title of publication: [(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species
• Authors of publication: Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1112 - 1119
• a: 12.533 ± 0.003 Å
• b: 17.061 ± 0.004 Å
• c: 47.05 ± 0.011 Å
• α: 90°
• β: 92.91 ± 0.006°
• γ: 90°
• Cell volume: 10048 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No