Information card for entry 4115947

Structure parameters

• Formula: C68 H45 B Cl3 F24 Fe3 N Si
• Calculated formula: C68 H45 B Cl3 F24 Fe3 N Si
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si]([c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)([c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[n+]1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81.[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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(Cl)(Cl)Cl
• Title of publication: Ring-Opening Protonolysis of Strained Silicon-Containing Rings: A New Approach to Ions with Silylium Character
• Authors of publication: Mark J. MacLachlan; Sara C. Bourke; Alan J. Lough; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 2126 - 2127
• a: 14.3274 ± 0.0007 Å
• b: 14.8789 ± 0.0008 Å
• c: 17.3698 ± 0.0009 Å
• α: 75.701 ± 0.003°
• β: 85.431 ± 0.003°
• γ: 68.56 ± 0.003°
• Cell volume: 3339.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections: 0.1623
• Weighted residual factors for significantly intense reflections: 0.142
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No