Information card for entry 4072722

Structure parameters

• Common name: Compound 1
• Formula: C47 H37 B F24 P Rh
• Calculated formula: C47 H37 B F24 P Rh
• SMILES: [Rh]1234567([P](C8C[CH]1=[CH]2C8)(C1CCCC1)C1CCCC1)[c]1([cH]7[c]6([cH]5[c]4([cH]31)C(F)(F)F)C(F)(F)F)[B](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Rhodium Phosphine Olefin Complexes of the Weakly Coordinating Anions [BArF4]-and [1-closo-CB11H6Br6]-. Kinetic versus Thermodynamic Factors in Anion Coordination and Complex Reactivity
• Authors of publication: Douglas, Thomas M.; Molinos, Eduardo; Brayshaw, Simon K.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 463
• a: 12.1862 ± 0.0001 Å
• b: 22.2631 ± 0.0002 Å
• c: 18.4958 ± 0.0001 Å
• α: 90°
• β: 108.775 ± 0.0004°
• γ: 90°
• Cell volume: 4750.94 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No