Information card for entry 7008468

Structure parameters

• Formula: C41 H55 B Cl N6 O3 Rh Ru S2
• Calculated formula: C41 H55 B Cl N6 O3 Rh Ru S2
• SMILES: [Rh]123(Cl)([S]([Ru]45678([S]1c1ccccc1)(OO4)[c]1([c]5([c]6([c]7([c]81C)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: 11.2271 ± 0.0007 Å
• b: 19.3709 ± 0.0013 Å
• c: 20.1713 ± 0.0013 Å
• α: 90°
• β: 92.029 ± 0.003°
• γ: 90°
• Cell volume: 4384.1 ± 0.5 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: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No