Information card for entry 4082573

Structure parameters

• Formula: C34 H58 Cl2 O Ru2
• Calculated formula: C34 H58 Cl2 O Ru2
• SMILES: [Ru]1234(Cl)(O[Ru]5678(Cl)[c]9([cH]5[c]6([c]7([cH]89)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]5([cH]1[c]2([c]3([cH]45)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: 10.463 ± 0.0006 Å
• b: 12.943 ± 0.0006 Å
• c: 14.8352 ± 0.0006 Å
• α: 102.582 ± 0.0013°
• β: 94.727 ± 0.0015°
• γ: 111.392 ± 0.0016°
• Cell volume: 1796.5 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No