Information card for entry 4074775

Structure parameters

• Formula: C53 H47 Rh Ru S2
• Calculated formula: C53 H47 Rh Ru S2
• SMILES: [Rh]123456([Ru]789%10%11%12([S]1c1c([S]27)cccc1)[cH]1[c]8([c]9([c]%10([c]%11([c]%121c1ccc(cc1)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[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: 13.428 ± 0.0014 Å
• b: 13.4077 ± 0.0017 Å
• c: 13.45 ± 0.002 Å
• α: 95.065 ± 0.005°
• β: 100.779 ± 0.005°
• γ: 108.421 ± 0.005°
• Cell volume: 2228.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No