Information card for entry 4074776

Structure parameters

• Formula: C62 H57 O P2 Rh Ru S2
• Calculated formula: C62 H57 O P2 Rh Ru S2
• SMILES: [Rh]123456([H][Ru]([S]1c1c([S]2)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C)C#[O])[c]1([c]6([c]5([c]4([c]31C)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: 12.0433 ± 0.0006 Å
• b: 23.0234 ± 0.0011 Å
• c: 19.3711 ± 0.0012 Å
• α: 90°
• β: 90.638 ± 0.003°
• γ: 90°
• Cell volume: 5370.8 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No