Information card for entry 4088427

Structure parameters

• Formula: C26 H36 O3 Ru2
• Calculated formula: C26 H36 O3 Ru2
• SMILES: [Ru]12345([H][Ru]6789%10([C]%111=[CH]7CCO%11)(C#[O])[c]1([c]8([c]9([c]%10([c]61C)C)C)C)C)(C#[O])[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: 8.5953 ± 0.0003 Å
• b: 20.2385 ± 0.0006 Å
• c: 14.6209 ± 0.0006 Å
• α: 90°
• β: 99.549 ± 0.001°
• γ: 90°
• Cell volume: 2508.15 ± 0.15 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No