Information card for entry 7008465

Structure parameters

• Formula: C43 H58 B Cl N7 O Rh Ru S2
• Calculated formula: C43 H58 B Cl N7 O Rh Ru S2
• SMILES: [Rh]123(Cl)([S]([Ru]4567([S]1c1ccccc1)([N]#CC)[c]1([c]4([c]5([C]6([c]71C)C)C)C)C)c1ccccc1)[n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.O1CCCC1
• Title of publication: Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites.
• Authors of publication: Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3166 - 3172
• a: 11.055 ± 0.002 Å
• b: 19.403 ± 0.003 Å
• c: 22.302 ± 0.003 Å
• α: 90°
• β: 90.8538 ± 0.0007°
• γ: 90°
• Cell volume: 4783.3 ± 1.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No