Information card for entry 4088428

Structure parameters

• Formula: C40 H64 O3 Ru2
• Calculated formula: C40 H64 O3 Ru2
• SMILES: [Ru]12345([H][Ru]6789%10([C]%111OCC[CH]7=%11)(C#[O])[c]1([cH]8[c]9([c]%10([cH]61)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])[c]1([cH]5[c]4([c]3([cH]21)C(C)(C)C)C(C)(C)C)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: 19.5372 ± 0.0005 Å
• b: 9.2054 ± 0.0003 Å
• c: 23.5257 ± 0.0006 Å
• α: 90°
• β: 111.388 ± 0.001°
• γ: 90°
• Cell volume: 3939.66 ± 0.19 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: 0.0352
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No