Information card for entry 4082575

Structure parameters

• Formula: C34 H62 Ru2
• Calculated formula: C34 H62 Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12([H]5)([H]6)([H]7)([H]8)[c]5([cH]9[c]%10([c]%11([cH]%125)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]5([cH]4[c]3([c]2([cH]15)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.228 ± 0.0005 Å
• b: 11.6952 ± 0.0007 Å
• c: 14.0881 ± 0.0005 Å
• α: 85.216 ± 0.0016°
• β: 85.104 ± 0.0014°
• γ: 87.385 ± 0.0019°
• Cell volume: 1671.94 ± 0.14 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: 0.0356
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No