Information card for entry 4084327

Structure parameters

• Formula: C21 H34 O2 Ru2
• Calculated formula: C21 H34 O2 Ru2
• SMILES: C1=[O][Ru]2345678([c]9([c]5([c]4([c]3([c]29C)C)C)C)C)[H][Ru]23458([H]6)([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)([H]7)O1
• Title of publication: Photochemical Reaction of Diruthenium Tetrahydride-Bridged Complexes with Carbon Dioxide: Insertion of CO2into a Ru‒H Bond versus C═O Double-Bond Cleavage
• Authors of publication: Shimogawa, Ryuichi; Takao, Toshiro; Konishi, Gen-ichi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5066
• a: 11.6376 ± 0.0009 Å
• b: 12.481 ± 0.001 Å
• c: 14.8625 ± 0.0013 Å
• α: 90°
• β: 105.31 ± 0.002°
• γ: 90°
• Cell volume: 2082.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No