Information card for entry 4084328

Structure parameters

• Formula: C35 H58 O2 Ru2
• Calculated formula: C35 H58 O2 Ru2
• SMILES: [Ru]123456([Ru]789%10(O1)(C2=O)[c]1([cH]%10[c]9([c]8([cH]71)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]3[c]4([c]5([cH]61)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 11.7654 ± 0.0006 Å
• b: 10.2405 ± 0.0005 Å
• c: 28.1348 ± 0.0013 Å
• α: 90°
• β: 92.081 ± 0.0006°
• γ: 90°
• Cell volume: 3387.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0698
• 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