Information card for entry 4074771

Structure parameters

• Formula: C52 H50 Cl P2 Rh Ru S2
• Calculated formula: C52 H50 Cl P2 Rh Ru S2
• SMILES: [Rh]1234567([Ru]8(Cl)([S]1c1c([S]28)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[H]7)[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: 19.576 ± 0.0016 Å
• b: 12.9958 ± 0.0017 Å
• c: 18.3713 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4673.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No