Information card for entry 7017033

Structure parameters

• Formula: C66 H57 B Cl2 F4 N4 O3 P3 Rh3 S2
• Calculated formula: C66 H57 B Cl2 F4 N4 O3 P3 Rh3 S2
• SMILES: [Rh]1([S]2c3[n](ccn3C)[Rh]([S](c3[n]1ccn3C)[Rh]2([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 11.9817 ± 0.0008 Å
• b: 15.4685 ± 0.0011 Å
• c: 18.5724 ± 0.0013 Å
• α: 104.309 ± 0.001°
• β: 93.037 ± 0.001°
• γ: 99.896 ± 0.001°
• Cell volume: 3269.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No