Information card for entry 4074774

Structure parameters

• Formula: C59 H58 P Rh Ru S2
• Calculated formula: C59 H58 P Rh Ru S2
• SMILES: [Rh]12345678([Ru]9%10(Sc%11c(S9)cccc%11)([P](c9ccccc9)(c9ccccc9)c9ccccc9)[C]1(=[CH]2[C]3(=[CH]4%10)c1ccc(cc1)C)c1ccc(cc1)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.c1(ccccc1)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: 11.042 ± 0.003 Å
• b: 28.5 ± 0.008 Å
• c: 15.871 ± 0.005 Å
• α: 90°
• β: 92.8 ± 0.02°
• γ: 90°
• Cell volume: 4989 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1302
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No