Information card for entry 4072723

Structure parameters

• Common name: Compound 2
• Formula: C16 H31 B11 Br6 P Rh
• Calculated formula: C16 H31 B11 Br6 P Rh
• SMILES: [Rh]1234([P](C5C[CH]1=[CH]2C5)(C1CCCC1)C1CCCC1)[Br][B]1256[BH]789[CH]%10%11%12[BH]%13%14%15[BH]%167%10[B]7%10%15([B]%15%17%14([BH]%14%12%13[BH]18%11[B]5%15%14([B]6%10%17([B]29%167Br)[Br]4)[Br]3)Br)Br
• 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: 12.9014 ± 0.0001 Å
• b: 13.8202 ± 0.0001 Å
• c: 16.3616 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2917.27 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No