Information card for entry 7017028

Structure parameters

• Formula: C53 H48 N4 O2 P2 Rh2 S2
• Calculated formula: C53 H48 N4 O2 P2 Rh2 S2
• SMILES: [Rh]1(Sc2[n](ccn2C)[Rh]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Sc2[n]1ccn2C)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].c1(ccccc1)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: 18.748 ± 0.004 Å
• b: 13.648 ± 0.003 Å
• c: 21.383 ± 0.004 Å
• α: 90°
• β: 109.1 ± 0.03°
• γ: 90°
• Cell volume: 5170 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No