Information card for entry 4063872

Structure parameters

• Formula: C116.25 H107.5 Cl6.5 F3 N2 O7 Os2 P8 Rh2 S
• Calculated formula: C116.25 H107.5 Cl6.5 F3 N2 O7 Os2 P8 Rh2 S
• SMILES: [Os]12345([Rh]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]#C/C=C(N[Rh]1267[Os]8([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C6=O)(C7=O)[CH2]=[CH2]8)\C)(C3=O)C4=O)[CH2]=[CH2]5.S(=O)(=O)([O-])C(F)(F)F.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Ethylene Substitution in a Bis-Ethylene Complex of Rh/Os and Unusual Brønsted−Lowry Basicity of an N-Heterocyclic Carbene
• Authors of publication: Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 815
• a: 15.8631 ± 0.0009 Å
• b: 19.6777 ± 0.0011 Å
• c: 21.6108 ± 0.0012 Å
• α: 96.9515 ± 0.0007°
• β: 106.386 ± 0.0007°
• γ: 111.141 ± 0.0006°
• Cell volume: 5846.2 ± 0.6 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: 0.0367
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No