Information card for entry 7101924

Structure parameters

• Formula: C34 H28 B2 Cl6 F6 Fe2 P
• Calculated formula: C34 H28 B2 Cl6 F6 Fe2 P
• SMILES: B1([c]23[c]4(B([c]56[cH]7[cH]8[cH]9[c]15[Fe]15%10%116789[cH]6[cH]%11[cH]%10[cH]5[cH]16)c1ccccc1)[cH]1[cH]5[cH]2[Fe]26783415[cH]1[cH]2[cH]6[cH]7[cH]81)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Lewis acidity enhancement of organoboranes via oxidation of appended ferrocene moieties.
• Authors of publication: Venkatasubbaiah, Krishnan; Nowik, Israel; Herber, Rolfe H; Jäkle, Frieder
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2154 - 2156
• a: 18.5711 ± 0.0003 Å
• b: 25.9704 ± 0.0004 Å
• c: 15.3244 ± 0.0003 Å
• α: 90°
• β: 100.053 ± 0.001°
• γ: 90°
• Cell volume: 7277.5 ± 0.2 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: 0.0695
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No