Information card for entry 4082574

Structure parameters

• Formula: C34 H58 Cl3 Ru2
• Calculated formula: C34 H58 Cl3 Ru2
• SMILES: [Ru]123456([Cl][Ru]789%10([Cl]1)([Cl]2)[c]1([cH]8[c]9([c]%10([cH]71)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]4[c]5([c]6([cH]31)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: 10.5017 ± 0.0004 Å
• b: 13.8218 ± 0.0007 Å
• c: 15.4523 ± 0.0008 Å
• α: 62.908 ± 0.0013°
• β: 67.396 ± 0.0014°
• γ: 88.411 ± 0.0014°
• Cell volume: 1813.59 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No