Information card for entry 7017031

Structure parameters

• Formula: C34 H52 F6 N6 P Rh3 S2
• Calculated formula: C34 H52 F6 N6 P Rh3 S2
• SMILES: [Rh]1234([S]5c6[n](nc(n6CC)C)[Rh]678([S](c9[n]1nc(n9CC)C)[Rh]519%10[CH]5=[CH]1CC[CH]%10=[CH]9CC5)[CH]1=[CH]6CC[CH]7=[CH]8CC1)[CH]1=[CH]4CC[CH]2=[CH]3CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The oxidative conversion of the N,S-bridged complexes [{RhLL'(μ-X)}(2)] to [(RhLL')(3)(μ-X)(2)](+) (X = mt or taz): a comparison with the oxidation of N,N-bridged analogues.
• Authors of publication: Blagg, Robin J.; López-Gómez, María J; Charmant, Jonathan P. H.; Connelly, Neil G.; Cowell, John J.; Haddow, Mairi F.; Hamilton, Alex; Orpen, A. Guy; Riis-Johannessen, Thomas; Saithong, Saowanit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11497 - 11510
• a: 8.3024 ± 0.0017 Å
• b: 21.086 ± 0.004 Å
• c: 21.516 ± 0.004 Å
• α: 90°
• β: 93.42 ± 0.03°
• γ: 90°
• Cell volume: 3760 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No