Information card for entry 4074772

Structure parameters

• Formula: C36 H34 O2 P Rh Ru S2
• Calculated formula: C36 H34 O2 P Rh Ru S2
• SMILES: [Rh]123456([Ru]7([S]1c1c([S]27)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex
• Authors of publication: Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 982
• a: 12.401 ± 0.009 Å
• b: 22.984 ± 0.012 Å
• c: 13.023 ± 0.006 Å
• α: 90°
• β: 113.77 ± 0.04°
• γ: 90°
• Cell volume: 3397 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No