Information card for entry 4088425

Structure parameters

• Formula: C34 H54 N2 O Ru2
• Calculated formula: C34 H54 N2 O Ru2
• SMILES: [Ru]12345([H][Ru]6789%10([C]%111OCC[CH]7=%11)(C#[N]C(C)(C)C)[c]1([c]6([c]%10([c]9([c]81C)C)C)C)C)(C#[N]C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes
• Authors of publication: Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1446
• a: 11.273 ± 0.002 Å
• b: 12.396 ± 0.002 Å
• c: 12.556 ± 0.002 Å
• α: 85.37 ± 0.003°
• β: 80.494 ± 0.004°
• γ: 80.253 ± 0.003°
• Cell volume: 1703 ± 0.5 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: 0.0327
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No