Information card for entry 4078109

Structure parameters

• Formula: C32 H54 Cl N2 P Ru2 S
• Calculated formula: C32 H54 Cl N2 P Ru2 S
• SMILES: [Ru]123456([Ru]789%10(S1)([P]2(C)C)([c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)C#[N]C(C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)C#[N]C(C)(C)C.[Cl-]
• Title of publication: Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands
• Authors of publication: Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3292
• a: 20.4886 ± 0.0012 Å
• b: 8.3947 ± 0.0006 Å
• c: 22.4029 ± 0.0013 Å
• α: 90°
• β: 113.415 ± 0.0014°
• γ: 90°
• Cell volume: 3535.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No