Information card for entry 4063879

Structure parameters

• Formula: C64 H61 Cl4 F6 N2 O9 Os P4 Rh S2
• Calculated formula: C62 H57 F6 N2 O9 Os P4 Rh S2
• SMILES: [Os]123([P](c4ccccc4)(C[P]([Rh]([H]3)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C2=O)=C1N(C(=C(N1C)C)C)C)(c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Influences of N-Heterocyclic Carbene and PMe3Ligands on the Tautomerism between Methylene/Hydride and Bridging Methyl Complexes of Rh/Os and Unusual Examples of Ligand Deprotonation by the NHC Group
• Authors of publication: Wells, Kyle D.; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2654
• a: 13.6192 ± 0.001 Å
• b: 13.9648 ± 0.001 Å
• c: 20.2106 ± 0.0014 Å
• α: 87.0519 ± 0.0011°
• β: 71.6752 ± 0.001°
• γ: 79.8666 ± 0.001°
• Cell volume: 3592 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No