Information card for entry 4082576

Structure parameters

• Formula: C27 H46 Ru2
• Calculated formula: C27 H39 Ru2
• Title of publication: Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands
• Authors of publication: Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 289
• a: 11.0205 ± 0.0005 Å
• b: 17.2266 ± 0.0007 Å
• c: 17.8346 ± 0.0007 Å
• α: 60.418 ± 0.0012°
• β: 80.629 ± 0.0014°
• γ: 69.743 ± 0.0013°
• Cell volume: 2762.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No