Information card for entry 4082570

Structure parameters

• Formula: C34 H58 Cl4 Ru2
• Calculated formula: C34 H58 Cl4 Ru2
• SMILES: [c]12([cH]3[c]4([c]5([cH]1[Ru]12345([Cl][Ru]2345([c]6([cH]2[c]3([c]4([cH]56)C(C)(C)C)C(C)(C)C)C(C)(C)C)([Cl]1)Cl)Cl)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: 10.2518 ± 0.0004 Å
• b: 15.9857 ± 0.0007 Å
• c: 12.0787 ± 0.0005 Å
• α: 90°
• β: 110.875 ± 0.0013°
• γ: 90°
• Cell volume: 1849.55 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0944
• 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