Information card for entry 7017026

Structure parameters

• Formula: C26 H40 N6 Rh2 S2
• Calculated formula: C26 H40 N6 Rh2 S2
• SMILES: [Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(Sc1[n]2nc(n1CC)C)[n]3nc(n(c3S[Rh]2345[CH]1=[CH]3CC[CH]4=[CH]5CC1)CC)C
• 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: 18.847 ± 0.004 Å
• b: 11.036 ± 0.002 Å
• c: 30.704 ± 0.006 Å
• α: 90°
• β: 99.28 ± 0.03°
• γ: 90°
• Cell volume: 6303 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No